2-chloro-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-methylcyclopropane-1-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide

C112H95Cl3F13N13O10 — CID 159164384

IUPAC2-chloro-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-methylcyclopropane-1-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
SMILESCC1(C(=O)NCc2ccc(Cl)c(C(=O)Nc3ccc4oc(-c5ccc(C(F)(F)F)cc5)nc4c3)c2)CC1.CC1(C(=O)NCc2cnc(C(F)F)c(C(=O)Nc3ccc4oc(-c5ccc(C(F)(F)F)cc5)nc4c3)c2)CC1.CCn1c(-c2ccc(Cl)cc2)cc2cc(CC(=O)c3cc(CNC(=O)C4(C)CC4)cnc3C(F)F)ccc21.Cn1c(-c2ccc(Cl)cc2)cc2cc(CC(=O)c3cc(CCC(=O)C(C)(C)F)cnc3C(F)F)cnc21
InChIInChI=1S/C30H28ClF2N3O2.C28H25ClF3N3O2.C27H21ClF3N3O3.C27H21F5N4O3/c1-3-36-24-9-4-18(12-21(24)15-25(36)20-5-7-22(31)8-6-20)14-26(37)23-13-19(16-34-27(23)28(32)33)17-35-29(38)30(2)10-11-30;1-28(2,32)24(37)9-4-16-11-21(25(26(30)31)33-14-16)23(36)12-17-10-19-13-22(35(3)27(19)34-15-17)18-5-7-20(29)8-6-18;1-26(10-11-26)25(36)32-14-15-2-8-20(28)19(12-15)23(35)33-18-7-9-22-21(13-18)34-24(37-22)16-3-5-17(6-4-16)27(29,30)31;1-26(8-9-26)25(38)34-13-14-10-18(21(22(28)29)33-12-14)23(37)35-17-6-7-20-19(11-17)36-24(39-20)15-2-4-16(5-3-15)27(30,31)32/h4-9,12-13,15-16,28H,3,10-11,14,17H2,1-2H3,(H,35,38);5-8,10-11,13-15,26H,4,9,12H2,1-3H3;2-9,12-13H,10-11,14H2,1H3,(H,32,36)(H,33,35);2-7,10-12,22H,8-9,13H2,1H3,(H,34,38)(H,35,37)
InChIKeyKKWSEQYMPMNJDR-UHFFFAOYSA-N
MW2136.41 g/mol
LogP27.41
Rot. Bonds31

About 2-chloro-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-methylcyclopropane-1-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide

2-chloro-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-methylcyclopropane-1-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide (PubChem CID 159164384) has the molecular formula C112H95Cl3F13N13O10 and a molecular weight of 2136.41 g/mol. Its IUPAC name is 2-chloro-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-methylcyclopropane-1-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-methylcyclopropane-1-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
PubChem CID159164384
Molecular FormulaC112H95Cl3F13N13O10
Molecular Weight2136.41 g/mol
Exact Mass2133.62
IUPAC Name2-chloro-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-methylcyclopropane-1-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
SMILESCC1(C(=O)NCc2ccc(Cl)c(C(=O)Nc3ccc4oc(-c5ccc(C(F)(F)F)cc5)nc4c3)c2)CC1.CC1(C(=O)NCc2cnc(C(F)F)c(C(=O)Nc3ccc4oc(-c5ccc(C(F)(F)F)cc5)nc4c3)c2)CC1.CCn1c(-c2ccc(Cl)cc2)cc2cc(CC(=O)c3cc(CNC(=O)C4(C)CC4)cnc3C(F)F)ccc21.Cn1c(-c2ccc(Cl)cc2)cc2cc(CC(=O)c3cc(CCC(=O)C(C)(C)F)cnc3C(F)F)cnc21
InChIInChI=1S/C30H28ClF2N3O2.C28H25ClF3N3O2.C27H21ClF3N3O3.C27H21F5N4O3/c1-3-36-24-9-4-18(12-21(24)15-25(36)20-5-7-22(31)8-6-20)14-26(37)23-13-19(16-34-27(23)28(32)33)17-35-29(38)30(2)10-11-30;1-28(2,32)24(37)9-4-16-11-21(25(26(30)31)33-14-16)23(36)12-17-10-19-13-22(35(3)27(19)34-15-17)18-5-7-20(29)8-6-18;1-26(10-11-26)25(36)32-14-15-2-8-20(28)19(12-15)23(35)33-18-7-9-22-21(13-18)34-24(37-22)16-3-5-17(6-4-16)27(29,30)31;1-26(8-9-26)25(38)34-13-14-10-18(21(22(28)29)33-12-14)23(37)35-17-6-7-20-19(11-17)36-24(39-20)15-2-4-16(5-3-15)27(30,31)32/h4-9,12-13,15-16,28H,3,10-11,14,17H2,1-2H3,(H,35,38);5-8,10-11,13-15,26H,4,9,12H2,1-3H3;2-9,12-13H,10-11,14H2,1H3,(H,32,36)(H,33,35);2-7,10-12,22H,8-9,13H2,1H3,(H,34,38)(H,35,37)
InChIKeyKKWSEQYMPMNJDR-UHFFFAOYSA-N
XLogP27.41
TPSA310.19 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds31
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002136.41
LogP ≤ 527.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 2-chloro-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-methylcyclopropane-1-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;1-[5-[2-[2-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]indol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one
CID 159338498
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-methylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide
CID 162026805

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-methylcyclopropane-1-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-methylcyclopropane-1-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide (CID 159164384) is 2-chloro-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-methylcyclopropane-1-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-methylcyclopropane-1-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-methylcyclopropane-1-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide is CC1(C(=O)NCc2ccc(Cl)c(C(=O)Nc3ccc4oc(-c5ccc(C(F)(F)F)cc5)nc4c3)c2)CC1.CC1(C(=O)NCc2cnc(C(F)F)c(C(=O)Nc3ccc4oc(-c5ccc(C(F)(F)F)cc5)nc4c3)c2)CC1.CCn1c(-c2ccc(Cl)cc2)cc2cc(CC(=O)c3cc(CNC(=O)C4(C)CC4)cnc3C(F)F)ccc21.Cn1c(-c2ccc(Cl)cc2)cc2cc(CC(=O)c3cc(CCC(=O)C(C)(C)F)cnc3C(F)F)cnc21.
What is the InChIKey of 2-chloro-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-methylcyclopropane-1-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The InChIKey is KKWSEQYMPMNJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClF2N3O2.C28H25ClF3N3O2.C27H21ClF3N3O3.C27H21F5N4O3/c1-3-36-24-9-4-18(12-21(24)15-25(36)20-5-7-22(31)8-6-20)14-26(37)23-13-19(16-34-27(23)28(32)33)17-35-29(38)30(2)10-11-30;1-28(2,32)24(37)9-4-16-11-21(25(26(30)31)33-14-16)23(36)12-17-10-19-13-22(35(3)27(19)34-15-17)18-5-7-20(29)8-6-18;1-26(10-11-26)25(36)32-14-15-2-8-20(28)19(12-15)23(35)33-18-7-9-22-21(13-18)34-24(37-22)16-3-5-17(6-4-16)27(29,30)31;1-26(8-9-26)25(38)34-13-14-10-18(21(22(28)29)33-12-14)23(37)35-17-6-7-20-19(11-17)36-24(39-20)15-2-4-16(5-3-15)27(30,31)32/h4-9,12-13,15-16,28H,3,10-11,14,17H2,1-2H3,(H,35,38);5-8,10-11,13-15,26H,4,9,12H2,1-3H3;2-9,12-13H,10-11,14H2,1H3,(H,32,36)(H,33,35);2-7,10-12,22H,8-9,13H2,1H3,(H,34,38)(H,35,37).
What are the key properties of 2-chloro-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-methylcyclopropane-1-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
2-chloro-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-methylcyclopropane-1-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide has a molecular weight of 2136.41 g/mol, XLogP of 27.41, 31 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-methylcyclopropane-1-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 159164384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).