3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide

C17H16BrClN2O2 — CID 113132588

IUPAC3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C17H16BrClN2O2/c1-12(22)21(16-8-3-2-7-15(16)18)10-9-17(23)20-14-6-4-5-13(19)11-14/h2-8,11H,9-10H2,1H3,(H,20,23)
InChIKeyKLTRMYBEANQVJA-UHFFFAOYSA-N
MW395.68 g/mol
LogP4.48
Rot. Bonds5

About 3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide

3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide (PubChem CID 113132588) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is 3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide
PubChem CID113132588
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC Name3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C17H16BrClN2O2/c1-12(22)21(16-8-3-2-7-15(16)18)10-9-17(23)20-14-6-4-5-13(19)11-14/h2-8,11H,9-10H2,1H3,(H,20,23)
InChIKeyKLTRMYBEANQVJA-UHFFFAOYSA-N
XLogP4.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide 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-(N-acetyl-2-ethylanilino)-N-(3-chlorophenyl)propanamide
CID 113125262
3-(N-acetyl-2,4-dimethylanilino)-N-(3-chlorophenyl)propanamide
CID 113124224
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113125911
3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide
CID 113135426
3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide
CID 113133926
3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 113126717
3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide
CID 113134105
3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide
CID 113134036
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide
CID 113127945
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113126328
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123650

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide (CID 113132588) is 3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(Cl)c1)c1ccccc1Br.
What is the InChIKey of 3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide?
The InChIKey is KLTRMYBEANQVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c1-12(22)21(16-8-3-2-7-15(16)18)10-9-17(23)20-14-6-4-5-13(19)11-14/h2-8,11H,9-10H2,1H3,(H,20,23).
What are the key properties of 3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide?
3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide has a molecular weight of 395.68 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 113132588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).