3-[[2-(2-chloroanilino)acetyl]amino]benzamide

C15H14ClN3O2 — CID 54810533

IUPAC3-[[2-(2-chloroanilino)acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CNc2ccccc2Cl)c1
InChIInChI=1S/C15H14ClN3O2/c16-12-6-1-2-7-13(12)18-9-14(20)19-11-5-3-4-10(8-11)15(17)21/h1-8,18H,9H2,(H2,17,21)(H,19,20)
InChIKeyGAVUPMBHLXAQJQ-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.49
Rot. Bonds5

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

3-[[2-(2-chloroanilino)acetyl]amino]benzamide (PubChem CID 54810533) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 3-[[2-(2-chloroanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(2-chloroanilino)acetyl]amino]benzamide
PubChem CID54810533
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name3-[[2-(2-chloroanilino)acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CNc2ccccc2Cl)c1
InChIInChI=1S/C15H14ClN3O2/c16-12-6-1-2-7-13(12)18-9-14(20)19-11-5-3-4-10(8-11)15(17)21/h1-8,18H,9H2,(H2,17,21)(H,19,20)
InChIKeyGAVUPMBHLXAQJQ-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

2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54810249
3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54810348
N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069766
2-(2-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54810505
2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide
CID 51132431
N-[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54810373
2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide
CID 54842453
2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54810439
2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54810243
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide
CID 54842256
2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56508672
N-[3-[[2-(2-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833047

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chloroanilino)acetyl]amino]benzamide?
The IUPAC name of 3-[[2-(2-chloroanilino)acetyl]amino]benzamide (CID 54810533) is 3-[[2-(2-chloroanilino)acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(2-chloroanilino)acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-(2-chloroanilino)acetyl]amino]benzamide is NC(=O)c1cccc(NC(=O)CNc2ccccc2Cl)c1.
What is the InChIKey of 3-[[2-(2-chloroanilino)acetyl]amino]benzamide?
The InChIKey is GAVUPMBHLXAQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-12-6-1-2-7-13(12)18-9-14(20)19-11-5-3-4-10(8-11)15(17)21/h1-8,18H,9H2,(H2,17,21)(H,19,20).
What are the key properties of 3-[[2-(2-chloroanilino)acetyl]amino]benzamide?
3-[[2-(2-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 3-[[2-(2-chloroanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54810533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).