3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide

C16H16BrN3O2 — CID 33159048

IUPAC3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CNc2cccc(Br)c2)c1
InChIInChI=1S/C16H16BrN3O2/c1-18-16(22)11-4-2-7-14(8-11)20-15(21)10-19-13-6-3-5-12(17)9-13/h2-9,19H,10H2,1H3,(H,18,22)(H,20,21)
InChIKeyIYXKXYNRCJFMHB-UHFFFAOYSA-N
MW362.23 g/mol
LogP2.86
Rot. Bonds5

About 3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide

3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide (PubChem CID 33159048) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide
PubChem CID33159048
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CNc2cccc(Br)c2)c1
InChIInChI=1S/C16H16BrN3O2/c1-18-16(22)11-4-2-7-14(8-11)20-15(21)10-19-13-6-3-5-12(17)9-13/h2-9,19H,10H2,1H3,(H,18,22)(H,20,21)
InChIKeyIYXKXYNRCJFMHB-UHFFFAOYSA-N
XLogP2.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide 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

3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
CID 37176425
3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54839782
N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide
CID 54840105
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
methyl 4-[[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 33159218
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54837270
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54837724
N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54845988
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839676

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide (CID 33159048) is 3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CNc2cccc(Br)c2)c1.
What is the InChIKey of 3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide?
The InChIKey is IYXKXYNRCJFMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-18-16(22)11-4-2-7-14(8-11)20-15(21)10-19-13-6-3-5-12(17)9-13/h2-9,19H,10H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide?
3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide has a molecular weight of 362.23 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 33159048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).