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

C109H89Cl2F19N14O10 — CID 162026805

IUPAC2-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
SMILESCC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ccc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)c1.CC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)Nc2ccc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)c1.CC(C)C(=O)NCc1cnc(C(F)F)c(C(=O)Cc2ccc3nn(-c4ccc(C(F)(F)F)cc4)cc3c2)c1.Cn1c(-c2ccc(Cl)cc2)cc2cc(CC(=O)c3cc(CNC(=O)C4(C(F)(F)F)CC4)cnc3C(F)F)ccc21
InChIInChI=1S/C29H23ClF5N3O2.C27H23ClF3N3O3.C27H23F5N4O2.C26H20F6N4O3/c1-38-22-7-2-16(10-19(22)13-23(38)18-3-5-20(30)6-4-18)12-24(39)21-11-17(14-36-25(21)26(31)32)15-37-27(40)28(8-9-28)29(33,34)35;1-26(2,3)25(36)32-14-15-4-10-20(28)19(12-15)23(35)33-18-9-11-22-21(13-18)34-24(37-22)16-5-7-17(8-6-16)27(29,30)31;1-15(2)26(38)34-13-17-10-21(24(25(28)29)33-12-17)23(37)11-16-3-8-22-18(9-16)14-36(35-22)20-6-4-19(5-7-20)27(30,31)32;1-25(2,29)24(38)34-12-13-9-17(20(21(27)28)33-11-13)22(37)35-16-7-8-19-18(10-16)36-23(39-19)14-3-5-15(6-4-14)26(30,31)32/h2-7,10-11,13-14,26H,8-9,12,15H2,1H3,(H,37,40);4-13H,14H2,1-3H3,(H,32,36)(H,33,35);3-10,12,14-15,25H,11,13H2,1-2H3,(H,34,38);3-11,21H,12H2,1-2H3,(H,34,38)(H,35,37)
InChIKeyYVMKNJMGYNPGDV-UHFFFAOYSA-N
MW2186.87 g/mol
LogP26.83
Rot. Bonds28

About 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

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 (PubChem CID 162026805) has the molecular formula C109H89Cl2F19N14O10 and a molecular weight of 2186.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID162026805
Molecular FormulaC109H89Cl2F19N14O10
Molecular Weight2186.87 g/mol
Exact Mass2184.60
IUPAC Name2-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
SMILESCC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ccc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)c1.CC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)Nc2ccc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)c1.CC(C)C(=O)NCc1cnc(C(F)F)c(C(=O)Cc2ccc3nn(-c4ccc(C(F)(F)F)cc4)cc3c2)c1.Cn1c(-c2ccc(Cl)cc2)cc2cc(CC(=O)c3cc(CNC(=O)C4(C(F)(F)F)CC4)cnc3C(F)F)ccc21
InChIInChI=1S/C29H23ClF5N3O2.C27H23ClF3N3O3.C27H23F5N4O2.C26H20F6N4O3/c1-38-22-7-2-16(10-19(22)13-23(38)18-3-5-20(30)6-4-18)12-24(39)21-11-17(14-36-25(21)26(31)32)15-37-27(40)28(8-9-28)29(33,34)35;1-26(2,3)25(36)32-14-15-4-10-20(28)19(12-15)23(35)33-18-9-11-22-21(13-18)34-24(37-22)16-5-7-17(8-6-16)27(29,30)31;1-15(2)26(38)34-13-17-10-21(24(25(28)29)33-12-17)23(37)11-16-3-8-22-18(9-16)14-36(35-22)20-6-4-19(5-7-20)27(30,31)32;1-25(2,29)24(38)34-12-13-9-17(20(21(27)28)33-11-13)22(37)35-16-7-8-19-18(10-16)36-23(39-19)14-3-5-15(6-4-14)26(30,31)32/h2-7,10-11,13-14,26H,8-9,12,15H2,1H3,(H,37,40);4-13H,14H2,1-3H3,(H,32,36)(H,33,35);3-10,12,14-15,25H,11,13H2,1-2H3,(H,34,38);3-11,21H,12H2,1-2H3,(H,34,38)(H,35,37)
InChIKeyYVMKNJMGYNPGDV-UHFFFAOYSA-N
XLogP26.83
TPSA322.22 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms154
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002186.87
LogP ≤ 526.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ccc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)c1.CC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)Nc2ccc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)c1.CC(C)C(=O)NCc1cnc(C(F)F)c(C(=O)Cc2ccc3nn(-c4ccc(C(F)(F)F)cc4)cc3c2)c1.Cn1c(-c2ccc(Cl)cc2)cc2cc(CC(=O)c3cc(CNC(=O)C4(C(F)(F)F)CC4)cnc3C(F)F)ccc21.
What is the InChIKey of 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?
The InChIKey is YVMKNJMGYNPGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClF5N3O2.C27H23ClF3N3O3.C27H23F5N4O2.C26H20F6N4O3/c1-38-22-7-2-16(10-19(22)13-23(38)18-3-5-20(30)6-4-18)12-24(39)21-11-17(14-36-25(21)26(31)32)15-37-27(40)28(8-9-28)29(33,34)35;1-26(2,3)25(36)32-14-15-4-10-20(28)19(12-15)23(35)33-18-9-11-22-21(13-18)34-24(37-22)16-5-7-17(8-6-16)27(29,30)31;1-15(2)26(38)34-13-17-10-21(24(25(28)29)33-12-17)23(37)11-16-3-8-22-18(9-16)14-36(35-22)20-6-4-19(5-7-20)27(30,31)32;1-25(2,29)24(38)34-12-13-9-17(20(21(27)28)33-11-13)22(37)35-16-7-8-19-18(10-16)36-23(39-19)14-3-5-15(6-4-14)26(30,31)32/h2-7,10-11,13-14,26H,8-9,12,15H2,1H3,(H,37,40);4-13H,14H2,1-3H3,(H,32,36)(H,33,35);3-10,12,14-15,25H,11,13H2,1-2H3,(H,34,38);3-11,21H,12H2,1-2H3,(H,34,38)(H,35,37).
What are the key properties of 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?
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 has a molecular weight of 2186.87 g/mol, XLogP of 26.83, 28 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162026805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).