4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide

C25H23ClN2O2 — CID 69201439

IUPAC4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C25H23ClN2O2/c1-16-2-13-22(28-25(30)20-9-11-21(26)12-10-20)14-23(16)18-5-7-19(8-6-18)24(29)27-15-17-3-4-17/h2,5-14,17H,3-4,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyFKOIMASUPFKRSB-UHFFFAOYSA-N
MW418.92 g/mol
LogP5.71
Rot. Bonds6

About 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide

4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide (PubChem CID 69201439) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide.

Molecular Properties

Compound Name4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide
PubChem CID69201439
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC Name4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C25H23ClN2O2/c1-16-2-13-22(28-25(30)20-9-11-21(26)12-10-20)14-23(16)18-5-7-19(8-6-18)24(29)27-15-17-3-4-17/h2,5-14,17H,3-4,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyFKOIMASUPFKRSB-UHFFFAOYSA-N
XLogP5.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-5-chloro-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyrimidine-4-carboxamide
CID 69200836
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078798
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 25093473
4-(4-chlorophenyl)-N-(cyclopropylmethyl)isoquinoline-6-carboxamide
CID 86282803
4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide
CID 106134057
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide
CID 68875804
4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide
CID 46541860
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
N-(cyclopropylmethyl)-4-(ethylamino)benzamide
CID 62173113
N'-[3-[4-[[4-(methanesulfonamidomethyl)phenyl]carbamoyl]phenyl]-4-methylphenyl]oxamide
CID 21090562
4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane
CID 145078476

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide?
The IUPAC name of 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide (CID 69201439) is 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide.
What is the SMILES notation for 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide?
The canonical SMILES for 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide is Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1-c1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide?
The InChIKey is FKOIMASUPFKRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c1-16-2-13-22(28-25(30)20-9-11-21(26)12-10-20)14-23(16)18-5-7-19(8-6-18)24(29)27-15-17-3-4-17/h2,5-14,17H,3-4,15H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide?
4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide has a molecular weight of 418.92 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide is sourced from PubChem (CID 69201439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).