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

C15H14BrN3O2 — CID 54840155

IUPAC2-[[2-(3-bromoanilino)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CNc1cccc(Br)c1
InChIInChI=1S/C15H14BrN3O2/c16-10-4-3-5-11(8-10)18-9-14(20)19-13-7-2-1-6-12(13)15(17)21/h1-8,18H,9H2,(H2,17,21)(H,19,20)
InChIKeyFZLKFXRQUGTMCA-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.60
Rot. Bonds5

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

2-[[2-(3-bromoanilino)acetyl]amino]benzamide (PubChem CID 54840155) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-[[2-(3-bromoanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(3-bromoanilino)acetyl]amino]benzamide
PubChem CID54840155
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name2-[[2-(3-bromoanilino)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CNc1cccc(Br)c1
InChIInChI=1S/C15H14BrN3O2/c16-10-4-3-5-11(8-10)18-9-14(20)19-13-7-2-1-6-12(13)15(17)21/h1-8,18H,9H2,(H2,17,21)(H,19,20)
InChIKeyFZLKFXRQUGTMCA-UHFFFAOYSA-N
XLogP2.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(3-bromoanilino)acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide
CID 54842453
2-[[2-[3-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840518
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide
CID 54842256
4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 46633398
2-(3-bromoanilino)-N-(2-phenylphenyl)acetamide
CID 9080400
2-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840938
2-[[2-(3-methylanilino)acetyl]amino]benzoic acid
CID 10589114
2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide
CID 9080342
2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9080359
2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide
CID 54828856
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
2-(3-bromoanilino)-N-(4-iodophenyl)acetamide
CID 26416177

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromoanilino)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(3-bromoanilino)acetyl]amino]benzamide (CID 54840155) is 2-[[2-(3-bromoanilino)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(3-bromoanilino)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(3-bromoanilino)acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CNc1cccc(Br)c1.
What is the InChIKey of 2-[[2-(3-bromoanilino)acetyl]amino]benzamide?
The InChIKey is FZLKFXRQUGTMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-10-4-3-5-11(8-10)18-9-14(20)19-13-7-2-1-6-12(13)15(17)21/h1-8,18H,9H2,(H2,17,21)(H,19,20).
What are the key properties of 2-[[2-(3-bromoanilino)acetyl]amino]benzamide?
2-[[2-(3-bromoanilino)acetyl]amino]benzamide has a molecular weight of 348.20 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromoanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54840155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).