(2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide

C11H14BrClN2O — CID 103479404

IUPAC(2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C11H14BrClN2O/c1-6(2)10(14)11(16)15-8-5-3-4-7(13)9(8)12/h3-6,10H,14H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyAUCKGWYTZFMZJQ-SNVBAGLBSA-N
MW305.60 g/mol
LogP3.02
Rot. Bonds3

About (2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide

(2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide (PubChem CID 103479404) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide
PubChem CID103479404
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name(2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C11H14BrClN2O/c1-6(2)10(14)11(16)15-8-5-3-4-7(13)9(8)12/h3-6,10H,14H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyAUCKGWYTZFMZJQ-SNVBAGLBSA-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

N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea
CID 103481256
(2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide
CID 66254944
(2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide
CID 81271294
N-(2-bromo-3-chlorophenyl)-2-chloro-2-phenylacetamide
CID 103478725
(2S)-2-amino-N-(2-bromo-3-chlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 103479342
N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 103479982
N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide
CID 103479974
(2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide
CID 61180078
2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride
CID 119280847
2-[(2-bromo-3-chlorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103480819

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide (CID 103479404) is (2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide is CC(C)[C@@H](N)C(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of (2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide?
The InChIKey is AUCKGWYTZFMZJQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-6(2)10(14)11(16)15-8-5-3-4-7(13)9(8)12/h3-6,10H,14H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide?
(2R)-2-amino-N-(2-bromo-3-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 (2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide is sourced from PubChem (CID 103479404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).