3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide

C17H17BrN2O2 — CID 93083294

IUPAC3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(NC(=O)CBr)c1)c1ccccc1
InChIInChI=1S/C17H17BrN2O2/c1-12(13-6-3-2-4-7-13)19-17(22)14-8-5-9-15(10-14)20-16(21)11-18/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyOAEKEUFRGKJOEB-LBPRGKRZSA-N
MW361.24 g/mol
LogP3.51
Rot. Bonds5

About 3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide

3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 93083294) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID93083294
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(NC(=O)CBr)c1)c1ccccc1
InChIInChI=1S/C17H17BrN2O2/c1-12(13-6-3-2-4-7-13)19-17(22)14-8-5-9-15(10-14)20-16(21)11-18/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyOAEKEUFRGKJOEB-LBPRGKRZSA-N
XLogP3.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]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

N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143
4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid
CID 43877722
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877795
N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide
CID 54791898
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54829287
3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877741
N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide
CID 55833406
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877752
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide (CID 93083294) is 3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1cccc(NC(=O)CBr)c1)c1ccccc1.
What is the InChIKey of 3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is OAEKEUFRGKJOEB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-12(13-6-3-2-4-7-13)19-17(22)14-8-5-9-15(10-14)20-16(21)11-18/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1.
What are the key properties of 3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 361.24 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 93083294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).