N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide

C16H15BrClNO — CID 100588730

IUPACN-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide
SMILESCc1cc(NC(=O)CCc2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C16H15BrClNO/c1-11-10-14(7-8-15(11)17)19-16(20)9-4-12-2-5-13(18)6-3-12/h2-3,5-8,10H,4,9H2,1H3,(H,19,20)
InChIKeyZTYQPTBDZXBKNQ-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.98
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide

N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide (PubChem CID 100588730) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide
PubChem CID100588730
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC NameN-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide
SMILESCc1cc(NC(=O)CCc2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C16H15BrClNO/c1-11-10-14(7-8-15(11)17)19-16(20)9-4-12-2-5-13(18)6-3-12/h2-3,5-8,10H,4,9H2,1H3,(H,19,20)
InChIKeyZTYQPTBDZXBKNQ-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-bromo-3-methylphenyl)-3-(4-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

N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998182
N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038475
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 9165169
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281
N-(4-bromo-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7959233
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
N-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide
CID 81272017
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220931
3-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 84581881
ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate
CID 100589864
N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 4798945

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide (CID 100588730) is N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide is Cc1cc(NC(=O)CCc2ccc(Cl)cc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide?
The InChIKey is ZTYQPTBDZXBKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-11-10-14(7-8-15(11)17)19-16(20)9-4-12-2-5-13(18)6-3-12/h2-3,5-8,10H,4,9H2,1H3,(H,19,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide?
N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide has a molecular weight of 352.66 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide is sourced from PubChem (CID 100588730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).