N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide

C28H23ClN2O2 — CID 22010622

IUPACN-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C28H23ClN2O2/c1-19-7-9-20(10-8-19)25-5-3-4-6-26(25)27(32)30-23-15-11-21(12-16-23)28(33)31(2)24-17-13-22(29)14-18-24/h3-18H,1-2H3,(H,30,32)
InChIKeyQOHXFWYGWLAPGP-UHFFFAOYSA-N
MW454.96 g/mol
LogP6.84
Rot. Bonds5

About N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide

N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide (PubChem CID 22010622) has the molecular formula C28H23ClN2O2 and a molecular weight of 454.96 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide
PubChem CID22010622
Molecular FormulaC28H23ClN2O2
Molecular Weight454.96 g/mol
Exact Mass454.14
IUPAC NameN-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C28H23ClN2O2/c1-19-7-9-20(10-8-19)25-5-3-4-6-26(25)27(32)30-23-15-11-21(12-16-23)28(33)31(2)24-17-13-22(29)14-18-24/h3-18H,1-2H3,(H,30,32)
InChIKeyQOHXFWYGWLAPGP-UHFFFAOYSA-N
XLogP6.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.96
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide
CID 22010862
N-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide
CID 22010705
2-(4-chlorophenyl)-N-phenylbenzamide
CID 102340259
N-[4-(ethylamino)phenyl]-2-(4-methylphenyl)benzamide
CID 141052756
2-[4-[[2-(4-chlorophenyl)benzoyl]amino]phenyl]acetic acid
CID 57465439
3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
CID 22010726
3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17230299
N-(4-chloro-2-phenylmethoxyphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
CID 22010907
6-[2-[methyl-[4-[[2-(4-methylphenyl)benzoyl]amino]benzoyl]amino]phenyl]sulfanylhexanoic acid
CID 22010752
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698586
N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
CID 22011026
4-chloro-N-methyl-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410939

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide?
The IUPAC name of N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide (CID 22010622) is N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide is Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide?
The InChIKey is QOHXFWYGWLAPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN2O2/c1-19-7-9-20(10-8-19)25-5-3-4-6-26(25)27(32)30-23-15-11-21(12-16-23)28(33)31(2)24-17-13-22(29)14-18-24/h3-18H,1-2H3,(H,30,32).
What are the key properties of N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide?
N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide has a molecular weight of 454.96 g/mol, XLogP of 6.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide is sourced from PubChem (CID 22010622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).