3-bromo-5-chloro-N-(2-phenylpropyl)benzamide

C16H15BrClNO — CID 107951717

IUPAC3-bromo-5-chloro-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1cc(Cl)cc(Br)c1)c1ccccc1
InChIInChI=1S/C16H15BrClNO/c1-11(12-5-3-2-4-6-12)10-19-16(20)13-7-14(17)9-15(18)8-13/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyRRFLPOXLUYKMPV-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.64
Rot. Bonds4

About 3-bromo-5-chloro-N-(2-phenylpropyl)benzamide

3-bromo-5-chloro-N-(2-phenylpropyl)benzamide (PubChem CID 107951717) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2-phenylpropyl)benzamide
PubChem CID107951717
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name3-bromo-5-chloro-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1cc(Cl)cc(Br)c1)c1ccccc1
InChIInChI=1S/C16H15BrClNO/c1-11(12-5-3-2-4-6-12)10-19-16(20)13-7-14(17)9-15(18)8-13/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyRRFLPOXLUYKMPV-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-5-chloro-N-(2-phenylpropyl)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

3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide
CID 107952489
2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]butanoic acid
CID 107938080
3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide
CID 110620419
5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 107938301
3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide
CID 61113200
3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 103826959
3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 107941141
3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104578827
3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103827221
(2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid
CID 107938356
3,5-dimethoxy-N-(2-phenylpropyl)benzamide
CID 42890141

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2-phenylpropyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(2-phenylpropyl)benzamide (CID 107951717) is 3-bromo-5-chloro-N-(2-phenylpropyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(2-phenylpropyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(2-phenylpropyl)benzamide is CC(CNC(=O)c1cc(Cl)cc(Br)c1)c1ccccc1.
What is the InChIKey of 3-bromo-5-chloro-N-(2-phenylpropyl)benzamide?
The InChIKey is RRFLPOXLUYKMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-11(12-5-3-2-4-6-12)10-19-16(20)13-7-14(17)9-15(18)8-13/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of 3-bromo-5-chloro-N-(2-phenylpropyl)benzamide?
3-bromo-5-chloro-N-(2-phenylpropyl)benzamide has a molecular weight of 352.66 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(2-phenylpropyl)benzamide is sourced from PubChem (CID 107951717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).