N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide

C21H18ClN3O2 — CID 54810283

IUPACN-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide
SMILESO=C(CNc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C21H18ClN3O2/c22-16-9-11-17(12-10-16)23-14-20(26)24-18-7-4-8-19(13-18)25-21(27)15-5-2-1-3-6-15/h1-13,23H,14H2,(H,24,26)(H,25,27)
InChIKeyBIXWZGQWRBSOMU-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.64
Rot. Bonds6

About N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide

N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide (PubChem CID 54810283) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide
PubChem CID54810283
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide
SMILESO=C(CNc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C21H18ClN3O2/c22-16-9-11-17(12-10-16)23-14-20(26)24-18-7-4-8-19(13-18)25-21(27)15-5-2-1-3-6-15/h1-13,23H,14H2,(H,24,26)(H,25,27)
InChIKeyBIXWZGQWRBSOMU-UHFFFAOYSA-N
XLogP4.64
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
CID 54816136
N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 54839125
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834712
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide
CID 54813402
N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
CID 54811131
N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide
CID 54840105
N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839157
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836483
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide (CID 54810283) is N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide is O=C(CNc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide?
The InChIKey is BIXWZGQWRBSOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c22-16-9-11-17(12-10-16)23-14-20(26)24-18-7-4-8-19(13-18)25-21(27)15-5-2-1-3-6-15/h1-13,23H,14H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide?
N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide has a molecular weight of 379.85 g/mol, XLogP of 4.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 54810283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).