5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide

C16H17BrN2O — CID 115297476

IUPAC5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1[C@H](C)NC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C16H17BrN2O/c1-10-5-3-4-6-13(10)11(2)19-16(20)14-9-12(18)7-8-15(14)17/h3-9,11H,18H2,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyARRFMWDFJPQQQQ-NSHDSACASA-N
MW333.23 g/mol
LogP3.83
Rot. Bonds3

About 5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide

5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide (PubChem CID 115297476) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
PubChem CID115297476
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1[C@H](C)NC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C16H17BrN2O/c1-10-5-3-4-6-13(10)11(2)19-16(20)14-9-12(18)7-8-15(14)17/h3-9,11H,18H2,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyARRFMWDFJPQQQQ-NSHDSACASA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]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

5-amino-N-[1-(2-bromophenyl)ethyl]-2-methylbenzamide
CID 61291745
5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 61118673
5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 65311896
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 115297455
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 79998731
3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide
CID 107120653
5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 115297266
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 114371335
2-bromo-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzamide
CID 46684203

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide (CID 115297476) is 5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide is Cc1ccccc1[C@H](C)NC(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide?
The InChIKey is ARRFMWDFJPQQQQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-10-5-3-4-6-13(10)11(2)19-16(20)14-9-12(18)7-8-15(14)17/h3-9,11H,18H2,1-2H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide?
5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide has a molecular weight of 333.23 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 115297476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).