2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(pyridin-2-ylmethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide

C113H99ClF6N16O9 — CID 158200564

IUPAC2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(pyridin-2-ylmethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide
SMILESCOc1ccc(NC(=O)NCc2ccccc2-c2ccccc2C(=O)NCc2cccnc2)cc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)Nc1ccc(C(F)(F)F)cc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)Nc1ccc(Cl)cc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCc1ccccn1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H25F3N4O2.C28H25ClN4O2.C28H23F3N4O2.C28H26N4O3/c30-29(31,32)21-12-14-23(15-13-21)36-28(38)35-19-20-7-1-2-9-24(20)25-10-3-4-11-26(25)27(37)34-18-16-22-8-5-6-17-33-22;29-21-12-14-23(15-13-21)33-28(35)32-19-20-7-1-2-9-24(20)25-10-3-4-11-26(25)27(34)31-18-16-22-8-5-6-17-30-22;29-28(30,31)20-12-14-21(15-13-20)35-27(37)34-17-19-7-1-2-9-23(19)24-10-3-4-11-25(24)26(36)33-18-22-8-5-6-16-32-22;1-35-23-14-12-22(13-15-23)32-28(34)31-19-21-8-2-3-9-24(21)25-10-4-5-11-26(25)27(33)30-18-20-7-6-16-29-17-20/h1-15,17H,16,18-19H2,(H,34,37)(H2,35,36,38);1-15,17H,16,18-19H2,(H,31,34)(H2,32,33,35);1-16H,17-18H2,(H,33,36)(H2,34,35,37);2-17H,18-19H2,1H3,(H,30,33)(H2,31,32,34)
InChIKeyGAWNRTMJRYUESE-UHFFFAOYSA-N
MW1974.58 g/mol
LogP22.79
Rot. Bonds31

About 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(pyridin-2-ylmethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide

2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(pyridin-2-ylmethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide (PubChem CID 158200564) has the molecular formula C113H99ClF6N16O9 and a molecular weight of 1974.58 g/mol. Its IUPAC name is 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(pyridin-2-ylmethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(pyridin-2-ylmethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide
PubChem CID158200564
Molecular FormulaC113H99ClF6N16O9
Molecular Weight1974.58 g/mol
Exact Mass1972.74
IUPAC Name2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(pyridin-2-ylmethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide
SMILESCOc1ccc(NC(=O)NCc2ccccc2-c2ccccc2C(=O)NCc2cccnc2)cc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)Nc1ccc(C(F)(F)F)cc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)Nc1ccc(Cl)cc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCc1ccccn1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H25F3N4O2.C28H25ClN4O2.C28H23F3N4O2.C28H26N4O3/c30-29(31,32)21-12-14-23(15-13-21)36-28(38)35-19-20-7-1-2-9-24(20)25-10-3-4-11-26(25)27(37)34-18-16-22-8-5-6-17-33-22;29-21-12-14-23(15-13-21)33-28(35)32-19-20-7-1-2-9-24(20)25-10-3-4-11-26(25)27(34)31-18-16-22-8-5-6-17-30-22;29-28(30,31)20-12-14-21(15-13-20)35-27(37)34-17-19-7-1-2-9-23(19)24-10-3-4-11-25(24)26(36)33-18-22-8-5-6-16-32-22;1-35-23-14-12-22(13-15-23)32-28(34)31-19-21-8-2-3-9-24(21)25-10-4-5-11-26(25)27(33)30-18-20-7-6-16-29-17-20/h1-15,17H,16,18-19H2,(H,34,37)(H2,35,36,38);1-15,17H,16,18-19H2,(H,31,34)(H2,32,33,35);1-16H,17-18H2,(H,33,36)(H2,34,35,37);2-17H,18-19H2,1H3,(H,30,33)(H2,31,32,34)
InChIKeyGAWNRTMJRYUESE-UHFFFAOYSA-N
XLogP22.79
TPSA341.71 Ų
H-Bond Donors12
H-Bond Acceptors13
Rotatable Bonds31
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001974.58
LogP ≤ 522.79
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1013

Analyze 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(pyridin-2-ylmethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide with MolForge

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Related Compounds

CID 89421380
CID 89421380
N-(4-chlorophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-[4-fluoro-4-(3-methyl-2-pyridinyl)piperidin-1-yl]benzonitrile;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 89845217
4-[4-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118061328
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;3-phenylpyridine-2-carboxamide
CID 135308214
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[(E)-7-oxo-9-[6-(trifluoromethyl)-3-pyridinyl]non-8-enyl]pyridine-2-carboxamide
CID 155672611
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[(E)-9-(2-methyl-4-pyridinyl)-7-oxonon-8-enyl]pyridine-2-carboxamide
CID 155672630
4-[3-fluoro-4-[[3-(2-fluoropropan-2-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[[3-(1,1,2,2,3,3-hexafluorobutyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[2-fluoro-5-(1,1,2,2,3,3-hexafluorobutyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[[3-(1,1,2,2-tetrafluoropropyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[2-fluoro-5-(1,1,2,2-tetrafluoropropyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[2-fluoro-5-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 157154764
4-amino-3-fluorophenol;4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;4-chloro-N-methylpyridine-2-carboxamide;bis(4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide)
CID 157274220
CID 157277686
CID 157277686
4-(3-chloro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 157332927
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylpyridine-2-carboxamide;1-[4-(4-cyanophenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 157340873
4-[4-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[2-fluoro-5-(1,1,2,2,3,3-hexafluorobutyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoropropan-2-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[2-fluoro-5-(1,1,2,2-tetrafluoropropyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(1,1,2,2,3,3-hexafluorobutyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 157417731

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(pyridin-2-ylmethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide?
The IUPAC name of 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(pyridin-2-ylmethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide (CID 158200564) is 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(pyridin-2-ylmethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide.
What is the SMILES notation for 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(pyridin-2-ylmethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide?
The canonical SMILES for 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(pyridin-2-ylmethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide is COc1ccc(NC(=O)NCc2ccccc2-c2ccccc2C(=O)NCc2cccnc2)cc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)Nc1ccc(C(F)(F)F)cc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)Nc1ccc(Cl)cc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCc1ccccn1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(pyridin-2-ylmethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide?
The InChIKey is GAWNRTMJRYUESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N4O2.C28H25ClN4O2.C28H23F3N4O2.C28H26N4O3/c30-29(31,32)21-12-14-23(15-13-21)36-28(38)35-19-20-7-1-2-9-24(20)25-10-3-4-11-26(25)27(37)34-18-16-22-8-5-6-17-33-22;29-21-12-14-23(15-13-21)33-28(35)32-19-20-7-1-2-9-24(20)25-10-3-4-11-26(25)27(34)31-18-16-22-8-5-6-17-30-22;29-28(30,31)20-12-14-21(15-13-20)35-27(37)34-17-19-7-1-2-9-23(19)24-10-3-4-11-25(24)26(36)33-18-22-8-5-6-16-32-22;1-35-23-14-12-22(13-15-23)32-28(34)31-19-21-8-2-3-9-24(21)25-10-4-5-11-26(25)27(33)30-18-20-7-6-16-29-17-20/h1-15,17H,16,18-19H2,(H,34,37)(H2,35,36,38);1-15,17H,16,18-19H2,(H,31,34)(H2,32,33,35);1-16H,17-18H2,(H,33,36)(H2,34,35,37);2-17H,18-19H2,1H3,(H,30,33)(H2,31,32,34).
What are the key properties of 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(pyridin-2-ylmethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide?
2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(pyridin-2-ylmethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide has a molecular weight of 1974.58 g/mol, XLogP of 22.79, 31 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(pyridin-2-ylmethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide is sourced from PubChem (CID 158200564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).