N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide

C28H20Cl2N2O3 — CID 2342128

IUPACN-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C28H20Cl2N2O3/c1-17-11-14-25(22(15-17)26(33)18-7-3-2-4-8-18)32-28(35)21-9-5-6-10-24(21)31-27(34)20-13-12-19(29)16-23(20)30/h2-16H,1H3,(H,31,34)(H,32,35)
InChIKeyYZHXUKPTFACHCX-UHFFFAOYSA-N
MW503.39 g/mol
LogP7.04
Rot. Bonds6

About N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide

N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide (PubChem CID 2342128) has the molecular formula C28H20Cl2N2O3 and a molecular weight of 503.39 g/mol. Its IUPAC name is N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide
PubChem CID2342128
Molecular FormulaC28H20Cl2N2O3
Molecular Weight503.39 g/mol
Exact Mass502.09
IUPAC NameN-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C28H20Cl2N2O3/c1-17-11-14-25(22(15-17)26(33)18-7-3-2-4-8-18)32-28(35)21-9-5-6-10-24(21)31-27(34)20-13-12-19(29)16-23(20)30/h2-16H,1H3,(H,31,34)(H,32,35)
InChIKeyYZHXUKPTFACHCX-UHFFFAOYSA-N
XLogP7.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.39
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 2313037
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide
CID 4829157
2,4-dichloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]benzamide
CID 4029873
2,4-dichloro-N-[2-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1339954
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880182
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
CID 2295317
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate
CID 23770659
N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide
CID 992682
2-benzoyl-N-(2,4-dimethylphenyl)benzamide
CID 16624399
N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide
CID 3500532

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide (CID 2342128) is N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide is Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide?
The InChIKey is YZHXUKPTFACHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2N2O3/c1-17-11-14-25(22(15-17)26(33)18-7-3-2-4-8-18)32-28(35)21-9-5-6-10-24(21)31-27(34)20-13-12-19(29)16-23(20)30/h2-16H,1H3,(H,31,34)(H,32,35).
What are the key properties of N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide?
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide has a molecular weight of 503.39 g/mol, XLogP of 7.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 2342128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).