(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide

C12H17BrN2O — CID 103793966

IUPAC(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C12H17BrN2O/c1-3-4-10(14)12(16)15-11-6-5-9(13)7-8(11)2/h5-7,10H,3-4,14H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyMSYCNFUUKQTUQR-SNVBAGLBSA-N
MW285.19 g/mol
LogP2.82
Rot. Bonds4

About (2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide

(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide (PubChem CID 103793966) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide
PubChem CID103793966
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C12H17BrN2O/c1-3-4-10(14)12(16)15-11-6-5-9(13)7-8(11)2/h5-7,10H,3-4,14H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyMSYCNFUUKQTUQR-SNVBAGLBSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide 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

(2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 884269
2-amino-N-(5-bromo-2-methylphenyl)hexanamide
CID 60854245
methyl 4-[[(2S)-2-aminopentanoyl]amino]-3-methylbenzoate
CID 107568716
2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide
CID 119313181
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
2-[(4-bromo-2-methylphenyl)carbamoyl]butanoic acid
CID 56986865
2-amino-N-(4-fluoro-2-methylphenyl)hexanamide
CID 54928581
4-[[(2S)-2-aminopentanoyl]amino]-3-bromobenzoic acid
CID 113342221
N-(4-bromo-2-methylphenyl)-2-methylbutanediamide
CID 82124667
2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 43650206
(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 93255538
2-amino-N-(5-bromo-2-methylphenyl)-4-methylsulfonylbutanamide
CID 43712537

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide?
The IUPAC name of (2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide (CID 103793966) is (2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide?
The canonical SMILES for (2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide is CCC[C@@H](N)C(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of (2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide?
The InChIKey is MSYCNFUUKQTUQR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-4-10(14)12(16)15-11-6-5-9(13)7-8(11)2/h5-7,10H,3-4,14H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide?
(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide has a molecular weight of 285.19 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide is sourced from PubChem (CID 103793966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).