4-[[2-(4-chloroanilino)acetyl]amino]benzamide

C15H14ClN3O2 — CID 37474850

IUPAC4-[[2-(4-chloroanilino)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClN3O2/c16-11-3-7-12(8-4-11)18-9-14(20)19-13-5-1-10(2-6-13)15(17)21/h1-8,18H,9H2,(H2,17,21)(H,19,20)
InChIKeyTTWYBHBWIYRBRY-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.49
Rot. Bonds5

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

4-[[2-(4-chloroanilino)acetyl]amino]benzamide (PubChem CID 37474850) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 4-[[2-(4-chloroanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(4-chloroanilino)acetyl]amino]benzamide
PubChem CID37474850
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name4-[[2-(4-chloroanilino)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClN3O2/c16-11-3-7-12(8-4-11)18-9-14(20)19-13-5-1-10(2-6-13)15(17)21/h1-8,18H,9H2,(H2,17,21)(H,19,20)
InChIKeyTTWYBHBWIYRBRY-UHFFFAOYSA-N
XLogP2.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426
methyl 4-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzoate
CID 9083102
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide
CID 46537886
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344
2-(4-chloroanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54810281
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 46633398
2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
CID 9098972
N-(4-chlorophenyl)-2-(3,4-dichloroanilino)acetamide
CID 29294726
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54810250
2-(4-chloroanilino)acetamide
CID 22320740
4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide
CID 55362429

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloroanilino)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(4-chloroanilino)acetyl]amino]benzamide (CID 37474850) is 4-[[2-(4-chloroanilino)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(4-chloroanilino)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(4-chloroanilino)acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CNc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[2-(4-chloroanilino)acetyl]amino]benzamide?
The InChIKey is TTWYBHBWIYRBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-11-3-7-12(8-4-11)18-9-14(20)19-13-5-1-10(2-6-13)15(17)21/h1-8,18H,9H2,(H2,17,21)(H,19,20).
What are the key properties of 4-[[2-(4-chloroanilino)acetyl]amino]benzamide?
4-[[2-(4-chloroanilino)acetyl]amino]benzamide has a molecular weight of 303.75 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloroanilino)acetyl]amino]benzamide is sourced from PubChem (CID 37474850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).