3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide

C28H21ClN2O3 — CID 17226391

IUPAC3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C28H21ClN2O3/c1-18-12-13-21(16-25(18)31-27(33)20-10-6-3-7-11-20)28(34)30-24-15-14-22(29)17-23(24)26(32)19-8-4-2-5-9-19/h2-17H,1H3,(H,30,34)(H,31,33)
InChIKeyBEBLPHRLWLTOHB-UHFFFAOYSA-N
MW468.94 g/mol
LogP6.38
Rot. Bonds6

About 3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide

3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide (PubChem CID 17226391) has the molecular formula C28H21ClN2O3 and a molecular weight of 468.94 g/mol. Its IUPAC name is 3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
PubChem CID17226391
Molecular FormulaC28H21ClN2O3
Molecular Weight468.94 g/mol
Exact Mass468.12
IUPAC Name3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C28H21ClN2O3/c1-18-12-13-21(16-25(18)31-27(33)20-10-6-3-7-11-20)28(34)30-24-15-14-22(29)17-23(24)26(32)19-8-4-2-5-9-19/h2-17H,1H3,(H,30,34)(H,31,33)
InChIKeyBEBLPHRLWLTOHB-UHFFFAOYSA-N
XLogP6.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.94
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-4-(dimethylamino)benzamide
CID 3539532
N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide
CID 41044373
3-benzamido-N,4-dimethylbenzamide
CID 17226324
N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
CID 2296038
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
N-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1326741
2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23935500
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
CID 4512455
N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide
CID 3500532
3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide
CID 17226451

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide?
The IUPAC name of 3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide (CID 17226391) is 3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide.
What is the SMILES notation for 3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide?
The canonical SMILES for 3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide?
The InChIKey is BEBLPHRLWLTOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2O3/c1-18-12-13-21(16-25(18)31-27(33)20-10-6-3-7-11-20)28(34)30-24-15-14-22(29)17-23(24)26(32)19-8-4-2-5-9-19/h2-17H,1H3,(H,30,34)(H,31,33).
What are the key properties of 3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide?
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide has a molecular weight of 468.94 g/mol, XLogP of 6.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide is sourced from PubChem (CID 17226391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).