N-[(1S)-1-(4-bromophenyl)propyl]benzamide

C16H16BrNO — CID 26776311

IUPACN-[(1S)-1-(4-bromophenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO/c1-2-15(12-8-10-14(17)11-9-12)18-16(19)13-6-4-3-5-7-13/h3-11,15H,2H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyAKSVTRHFFTWEIJ-HNNXBMFYSA-N
MW318.21 g/mol
LogP4.33
Rot. Bonds4

About N-[(1S)-1-(4-bromophenyl)propyl]benzamide

N-[(1S)-1-(4-bromophenyl)propyl]benzamide (PubChem CID 26776311) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)propyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)propyl]benzamide
PubChem CID26776311
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-[(1S)-1-(4-bromophenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO/c1-2-15(12-8-10-14(17)11-9-12)18-16(19)13-6-4-3-5-7-13/h3-11,15H,2H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyAKSVTRHFFTWEIJ-HNNXBMFYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1S)-1-(4-bromophenyl)propyl]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

3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-[(1S)-1-(4-bromophenyl)propyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 27164187
N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide
CID 43011620
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide
CID 43022770
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide
CID 170766371
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
1-(4-bromophenyl)-3-(1-phenylpropyl)urea
CID 3395265

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)propyl]benzamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)propyl]benzamide (CID 26776311) is N-[(1S)-1-(4-bromophenyl)propyl]benzamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)propyl]benzamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)propyl]benzamide is CC[C@H](NC(=O)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)propyl]benzamide?
The InChIKey is AKSVTRHFFTWEIJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-2-15(12-8-10-14(17)11-9-12)18-16(19)13-6-4-3-5-7-13/h3-11,15H,2H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)propyl]benzamide?
N-[(1S)-1-(4-bromophenyl)propyl]benzamide has a molecular weight of 318.21 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)propyl]benzamide is sourced from PubChem (CID 26776311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).