(2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide

C13H19BrN2O — CID 103831227

IUPAC(2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-2-3-7-12(15)13(17)16-9-10-5-4-6-11(14)8-10/h4-6,8,12H,2-3,7,9,15H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyBBIXXXZFSAKTER-LBPRGKRZSA-N
MW299.21 g/mol
LogP2.58
Rot. Bonds6

About (2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide

(2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide (PubChem CID 103831227) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide
PubChem CID103831227
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name(2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-2-3-7-12(15)13(17)16-9-10-5-4-6-11(14)8-10/h4-6,8,12H,2-3,7,9,15H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyBBIXXXZFSAKTER-LBPRGKRZSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide 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

2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide
CID 81089386
(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride
CID 119279834
(2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide
CID 118439878
(2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride
CID 142480144
(2S)-2-amino-N-[(3-nitrophenyl)methyl]hexanamide
CID 94460302
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide
CID 65229446
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide
CID 61301214
2-amino-N-[(2-bromophenyl)methyl]hexanamide
CID 61402483
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
CID 67015275
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide
CID 103795148
2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide (CID 103831227) is (2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide is CCCC[C@H](N)C(=O)NCc1cccc(Br)c1.
What is the InChIKey of (2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide?
The InChIKey is BBIXXXZFSAKTER-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-2-3-7-12(15)13(17)16-9-10-5-4-6-11(14)8-10/h4-6,8,12H,2-3,7,9,15H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide?
(2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide has a molecular weight of 299.21 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide is sourced from PubChem (CID 103831227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).