(2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide

C11H14BrClN2O — CID 81271294

IUPAC(2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C11H14BrClN2O/c1-6(2)10(14)11(16)15-9-5-7(13)3-4-8(9)12/h3-6,10H,14H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyZIYZOGJHQADFOP-JTQLQIEISA-N
MW305.60 g/mol
LogP3.02
Rot. Bonds3

About (2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide

(2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide (PubChem CID 81271294) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide
PubChem CID81271294
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name(2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C11H14BrClN2O/c1-6(2)10(14)11(16)15-9-5-7(13)3-4-8(9)12/h3-6,10H,14H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyZIYZOGJHQADFOP-JTQLQIEISA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide
CID 43714180
N-(2-bromo-5-chlorophenyl)-2-chloropropanamide
CID 81264583
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698
(2S)-2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbutanamide
CID 61156530
(3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide
CID 81274652
N-(2-bromo-5-chlorophenyl)-2-methylpentanamide
CID 81272725
4-amino-5-(2-bromo-5-chloroanilino)-5-oxopentanoic acid
CID 81270730
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide
CID 81270389
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide
CID 104778265
(2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide
CID 103479404

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide (CID 81271294) is (2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide is CC(C)[C@H](N)C(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of (2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide?
The InChIKey is ZIYZOGJHQADFOP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-6(2)10(14)11(16)15-9-5-7(13)3-4-8(9)12/h3-6,10H,14H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide?
(2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide has a molecular weight of 305.60 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide is sourced from PubChem (CID 81271294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).