N-[(4R)-2-(cyclobutylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;N-[(4R)-2-(cyclohexylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(3,3-difluorobutyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(4,4-difluoropentyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-[(2,5-dimethyltriazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-2-(3-methylbut-2-enyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide

C163H157Cl12F22N21O18 — CID 158485326

IUPACN-[(4R)-2-(cyclobutylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;N-[(4R)-2-(cyclohexylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(3,3-difluorobutyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(4,4-difluoropentyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-[(2,5-dimethyltriazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-2-(3-methylbut-2-enyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide
SMILESCC(C)=CCN1OC[C@@H](NC(=O)c2ccc(C3=NCC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2C)C1=O.Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(CC2CCC2)C1=O.Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(CC2CCCCC2)C1=O.Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(CCC(C)(F)F)C1=O.Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(CCCC(C)(F)F)C1=O.Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(Cc2nn(C)nc2C)C1=O
InChIInChI=1S/C29H30Cl2F3N3O3.C27H26Cl2F5N3O3.C27H25Cl2F3N6O3.2C27H26Cl2F3N3O3.C26H24Cl2F5N3O3/c1-17-9-19(24-13-28(16-35-24,29(32,33)34)20-10-21(30)12-22(31)11-20)7-8-23(17)26(38)36-25-15-40-37(27(25)39)14-18-5-3-2-4-6-18;1-15-8-16(21-12-26(14-35-21,27(32,33)34)17-9-18(28)11-19(29)10-17)4-5-20(15)23(38)36-22-13-40-37(24(22)39)7-3-6-25(2,30)31;1-14-6-16(21-10-26(13-33-21,27(30,31)32)17-7-18(28)9-19(29)8-17)4-5-20(14)24(39)34-23-12-41-38(25(23)40)11-22-15(2)35-37(3)36-22;1-15-7-17(22-11-26(14-33-22,27(30,31)32)18-8-19(28)10-20(29)9-18)5-6-21(15)24(36)34-23-13-38-35(25(23)37)12-16-3-2-4-16;1-15(2)6-7-35-25(37)23(13-38-35)34-24(36)21-5-4-17(8-16(21)3)22-12-26(14-33-22,27(30,31)32)18-9-19(28)11-20(29)10-18;1-14-7-15(20-11-25(13-34-20,26(31,32)33)16-8-17(27)10-18(28)9-16)3-4-19(14)22(37)35-21-12-39-36(23(21)38)6-5-24(2,29)30/h7-12,18,25H,2-6,13-16H2,1H3,(H,36,38);4-5,8-11,22H,3,6-7,12-14H2,1-2H3,(H,36,38);4-9,23H,10-13H2,1-3H3,(H,34,39);5-10,16,23H,2-4,11-14H2,1H3,(H,34,36);4-6,8-11,23H,7,12-14H2,1-3H3,(H,34,36);3-4,7-10,21H,5-6,11-13H2,1-2H3,(H,35,37)/t25-,28?;22-,26?;3*23-,26?;21-,25?/m111111/s1
InChIKeyHIAHQKMKDTYDHB-KAHQZAIFSA-N
MW3541.57 g/mol
LogP34.67
Rot. Bonds39

About N-[(4R)-2-(cyclobutylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;N-[(4R)-2-(cyclohexylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(3,3-difluorobutyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(4,4-difluoropentyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-[(2,5-dimethyltriazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-2-(3-methylbut-2-enyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide

N-[(4R)-2-(cyclobutylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;N-[(4R)-2-(cyclohexylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(3,3-difluorobutyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(4,4-difluoropentyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-[(2,5-dimethyltriazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-2-(3-methylbut-2-enyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide (PubChem CID 158485326) has the molecular formula C163H157Cl12F22N21O18 and a molecular weight of 3541.57 g/mol. Its IUPAC name is N-[(4R)-2-(cyclobutylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;N-[(4R)-2-(cyclohexylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(3,3-difluorobutyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(4,4-difluoropentyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-[(2,5-dimethyltriazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-2-(3-methylbut-2-enyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[(4R)-2-(cyclobutylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;N-[(4R)-2-(cyclohexylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(3,3-difluorobutyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(4,4-difluoropentyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-[(2,5-dimethyltriazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-2-(3-methylbut-2-enyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide
PubChem CID158485326
Molecular FormulaC163H157Cl12F22N21O18
Molecular Weight3541.57 g/mol
Exact Mass3533.79
IUPAC NameN-[(4R)-2-(cyclobutylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;N-[(4R)-2-(cyclohexylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(3,3-difluorobutyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(4,4-difluoropentyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-[(2,5-dimethyltriazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-2-(3-methylbut-2-enyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide
SMILESCC(C)=CCN1OC[C@@H](NC(=O)c2ccc(C3=NCC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2C)C1=O.Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(CC2CCC2)C1=O.Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(CC2CCCCC2)C1=O.Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(CCC(C)(F)F)C1=O.Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(CCCC(C)(F)F)C1=O.Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(Cc2nn(C)nc2C)C1=O
InChIInChI=1S/C29H30Cl2F3N3O3.C27H26Cl2F5N3O3.C27H25Cl2F3N6O3.2C27H26Cl2F3N3O3.C26H24Cl2F5N3O3/c1-17-9-19(24-13-28(16-35-24,29(32,33)34)20-10-21(30)12-22(31)11-20)7-8-23(17)26(38)36-25-15-40-37(27(25)39)14-18-5-3-2-4-6-18;1-15-8-16(21-12-26(14-35-21,27(32,33)34)17-9-18(28)11-19(29)10-17)4-5-20(15)23(38)36-22-13-40-37(24(22)39)7-3-6-25(2,30)31;1-14-6-16(21-10-26(13-33-21,27(30,31)32)17-7-18(28)9-19(29)8-17)4-5-20(14)24(39)34-23-12-41-38(25(23)40)11-22-15(2)35-37(3)36-22;1-15-7-17(22-11-26(14-33-22,27(30,31)32)18-8-19(28)10-20(29)9-18)5-6-21(15)24(36)34-23-13-38-35(25(23)37)12-16-3-2-4-16;1-15(2)6-7-35-25(37)23(13-38-35)34-24(36)21-5-4-17(8-16(21)3)22-12-26(14-33-22,27(30,31)32)18-9-19(28)11-20(29)10-18;1-14-7-15(20-11-25(13-34-20,26(31,32)33)16-8-17(27)10-18(28)9-16)3-4-19(14)22(37)35-21-12-39-36(23(21)38)6-5-24(2,29)30/h7-12,18,25H,2-6,13-16H2,1H3,(H,36,38);4-5,8-11,22H,3,6-7,12-14H2,1-2H3,(H,36,38);4-9,23H,10-13H2,1-3H3,(H,34,39);5-10,16,23H,2-4,11-14H2,1H3,(H,34,36);4-6,8-11,23H,7,12-14H2,1-3H3,(H,34,36);3-4,7-10,21H,5-6,11-13H2,1-2H3,(H,35,37)/t25-,28?;22-,26?;3*23-,26?;21-,25?/m111111/s1
InChIKeyHIAHQKMKDTYDHB-KAHQZAIFSA-N
XLogP34.67
TPSA456.71 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds39
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003541.57
LogP ≤ 534.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(4R)-2-(cyclobutylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;N-[(4R)-2-(cyclohexylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(3,3-difluorobutyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(4,4-difluoropentyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-[(2,5-dimethyltriazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-2-(3-methylbut-2-enyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2-(cyclobutylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;N-[(4R)-2-(cyclohexylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(3,3-difluorobutyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(4,4-difluoropentyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-[(2,5-dimethyltriazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-2-(3-methylbut-2-enyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide?
The IUPAC name of N-[(4R)-2-(cyclobutylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;N-[(4R)-2-(cyclohexylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(3,3-difluorobutyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(4,4-difluoropentyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-[(2,5-dimethyltriazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-2-(3-methylbut-2-enyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide (CID 158485326) is N-[(4R)-2-(cyclobutylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;N-[(4R)-2-(cyclohexylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(3,3-difluorobutyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(4,4-difluoropentyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-[(2,5-dimethyltriazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-2-(3-methylbut-2-enyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide.
What is the SMILES notation for N-[(4R)-2-(cyclobutylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;N-[(4R)-2-(cyclohexylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(3,3-difluorobutyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(4,4-difluoropentyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-[(2,5-dimethyltriazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-2-(3-methylbut-2-enyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide?
The canonical SMILES for N-[(4R)-2-(cyclobutylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;N-[(4R)-2-(cyclohexylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(3,3-difluorobutyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(4,4-difluoropentyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-[(2,5-dimethyltriazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-2-(3-methylbut-2-enyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide is CC(C)=CCN1OC[C@@H](NC(=O)c2ccc(C3=NCC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2C)C1=O.Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(CC2CCC2)C1=O.Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(CC2CCCCC2)C1=O.Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(CCC(C)(F)F)C1=O.Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(CCCC(C)(F)F)C1=O.Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(Cc2nn(C)nc2C)C1=O.
What is the InChIKey of N-[(4R)-2-(cyclobutylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;N-[(4R)-2-(cyclohexylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(3,3-difluorobutyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(4,4-difluoropentyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-[(2,5-dimethyltriazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-2-(3-methylbut-2-enyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide?
The InChIKey is HIAHQKMKDTYDHB-KAHQZAIFSA-N. The full InChI is InChI=1S/C29H30Cl2F3N3O3.C27H26Cl2F5N3O3.C27H25Cl2F3N6O3.2C27H26Cl2F3N3O3.C26H24Cl2F5N3O3/c1-17-9-19(24-13-28(16-35-24,29(32,33)34)20-10-21(30)12-22(31)11-20)7-8-23(17)26(38)36-25-15-40-37(27(25)39)14-18-5-3-2-4-6-18;1-15-8-16(21-12-26(14-35-21,27(32,33)34)17-9-18(28)11-19(29)10-17)4-5-20(15)23(38)36-22-13-40-37(24(22)39)7-3-6-25(2,30)31;1-14-6-16(21-10-26(13-33-21,27(30,31)32)17-7-18(28)9-19(29)8-17)4-5-20(14)24(39)34-23-12-41-38(25(23)40)11-22-15(2)35-37(3)36-22;1-15-7-17(22-11-26(14-33-22,27(30,31)32)18-8-19(28)10-20(29)9-18)5-6-21(15)24(36)34-23-13-38-35(25(23)37)12-16-3-2-4-16;1-15(2)6-7-35-25(37)23(13-38-35)34-24(36)21-5-4-17(8-16(21)3)22-12-26(14-33-22,27(30,31)32)18-9-19(28)11-20(29)10-18;1-14-7-15(20-11-25(13-34-20,26(31,32)33)16-8-17(27)10-18(28)9-16)3-4-19(14)22(37)35-21-12-39-36(23(21)38)6-5-24(2,29)30/h7-12,18,25H,2-6,13-16H2,1H3,(H,36,38);4-5,8-11,22H,3,6-7,12-14H2,1-2H3,(H,36,38);4-9,23H,10-13H2,1-3H3,(H,34,39);5-10,16,23H,2-4,11-14H2,1H3,(H,34,36);4-6,8-11,23H,7,12-14H2,1-3H3,(H,34,36);3-4,7-10,21H,5-6,11-13H2,1-2H3,(H,35,37)/t25-,28?;22-,26?;3*23-,26?;21-,25?/m111111/s1.
What are the key properties of N-[(4R)-2-(cyclobutylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;N-[(4R)-2-(cyclohexylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(3,3-difluorobutyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(4,4-difluoropentyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-[(2,5-dimethyltriazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-2-(3-methylbut-2-enyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide?
N-[(4R)-2-(cyclobutylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;N-[(4R)-2-(cyclohexylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(3,3-difluorobutyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(4,4-difluoropentyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-[(2,5-dimethyltriazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-2-(3-methylbut-2-enyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide has a molecular weight of 3541.57 g/mol, XLogP of 34.67, 39 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2-(cyclobutylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;N-[(4R)-2-(cyclohexylmethyl)-3-oxo-1,2-oxazolidin-4-yl]-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(3,3-difluorobutyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-(4,4-difluoropentyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-[(2,5-dimethyltriazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-2-(3-methylbut-2-enyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide is sourced from PubChem (CID 158485326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).