2-chloro-5-[[4-[ethyl(methyl)amino]benzoyl]amino]-N-phenylbenzamide

C23H22ClN3O2 — CID 86954752

IUPAC2-chloro-5-[[4-[ethyl(methyl)amino]benzoyl]amino]-N-phenylbenzamide
SMILESCCN(C)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C23H22ClN3O2/c1-3-27(2)19-12-9-16(10-13-19)22(28)26-18-11-14-21(24)20(15-18)23(29)25-17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyPGMHNUZLCHQUSH-UHFFFAOYSA-N
MW407.90 g/mol
LogP5.30
Rot. Bonds6

About 2-chloro-5-[[4-[ethyl(methyl)amino]benzoyl]amino]-N-phenylbenzamide

2-chloro-5-[[4-[ethyl(methyl)amino]benzoyl]amino]-N-phenylbenzamide (PubChem CID 86954752) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 2-chloro-5-[[4-[ethyl(methyl)amino]benzoyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[[4-[ethyl(methyl)amino]benzoyl]amino]-N-phenylbenzamide
PubChem CID86954752
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name2-chloro-5-[[4-[ethyl(methyl)amino]benzoyl]amino]-N-phenylbenzamide
SMILESCCN(C)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C23H22ClN3O2/c1-3-27(2)19-12-9-16(10-13-19)22(28)26-18-11-14-21(24)20(15-18)23(29)25-17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyPGMHNUZLCHQUSH-UHFFFAOYSA-N
XLogP5.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-4-[ethyl(methyl)amino]benzamide
CID 86865212
2-chloro-5-[[(2R)-2-ethoxypropanoyl]amino]-N-phenylbenzamide
CID 96550328
2-chloro-N-(3-chlorophenyl)-5-[methyl(methylsulfanyl)amino]benzamide
CID 146668345
2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide
CID 55835370
N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide
CID 47089077
2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide
CID 86954742
ethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate
CID 46778786
2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide
CID 2990559
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049781
N-[4-[(N-methylanilino)methyl]phenyl]benzamide
CID 170063802
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-[ethyl(methyl)amino]benzoyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-chloro-5-[[4-[ethyl(methyl)amino]benzoyl]amino]-N-phenylbenzamide (CID 86954752) is 2-chloro-5-[[4-[ethyl(methyl)amino]benzoyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-chloro-5-[[4-[ethyl(methyl)amino]benzoyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-chloro-5-[[4-[ethyl(methyl)amino]benzoyl]amino]-N-phenylbenzamide is CCN(C)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of 2-chloro-5-[[4-[ethyl(methyl)amino]benzoyl]amino]-N-phenylbenzamide?
The InChIKey is PGMHNUZLCHQUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-3-27(2)19-12-9-16(10-13-19)22(28)26-18-11-14-21(24)20(15-18)23(29)25-17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 2-chloro-5-[[4-[ethyl(methyl)amino]benzoyl]amino]-N-phenylbenzamide?
2-chloro-5-[[4-[ethyl(methyl)amino]benzoyl]amino]-N-phenylbenzamide has a molecular weight of 407.90 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-[ethyl(methyl)amino]benzoyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 86954752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).