(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide

C12H17BrN2O — CID 42313538

IUPAC(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-3-8(2)11(14)12(16)15-10-6-4-9(13)5-7-10/h4-8,11H,3,14H2,1-2H3,(H,15,16)/t8-,11-/m0/s1
InChIKeyRWQSAIVENFLBKI-KWQFWETISA-N
MW285.19 g/mol
LogP2.76
Rot. Bonds4

About (2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide

(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide (PubChem CID 42313538) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
PubChem CID42313538
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-3-8(2)11(14)12(16)15-10-6-4-9(13)5-7-10/h4-8,11H,3,14H2,1-2H3,(H,15,16)/t8-,11-/m0/s1
InChIKeyRWQSAIVENFLBKI-KWQFWETISA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide 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

(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
(2S,3S)-2-amino-3-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148897
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687
(2S)-2-amino-N-[4-(methanesulfonamido)phenyl]-3-methylpentanamide
CID 61173370
(2S)-2-amino-N-[4-(ethylsulfonylamino)phenyl]-3-methylpentanamide
CID 61172500

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide (CID 42313538) is (2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide?
The InChIKey is RWQSAIVENFLBKI-KWQFWETISA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-8(2)11(14)12(16)15-10-6-4-9(13)5-7-10/h4-8,11H,3,14H2,1-2H3,(H,15,16)/t8-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide?
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide has a molecular weight of 285.19 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide is sourced from PubChem (CID 42313538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).