(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide

C12H16BrClN2O — CID 104903780

IUPAC(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H16BrClN2O/c1-7(2)5-10(15)12(17)16-11-4-3-8(14)6-9(11)13/h3-4,6-7,10H,5,15H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyWVBXTPFPYPAVJA-SNVBAGLBSA-N
MW319.63 g/mol
LogP3.41
Rot. Bonds4

About (2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide

(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide (PubChem CID 104903780) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
PubChem CID104903780
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H16BrClN2O/c1-7(2)5-10(15)12(17)16-11-4-3-8(14)6-9(11)13/h3-4,6-7,10H,5,15H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyWVBXTPFPYPAVJA-SNVBAGLBSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 81264280
(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide
CID 104903984
2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide
CID 112735394
2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide
CID 54862650
2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide
CID 114929090
5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
CID 113441065
2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide
CID 24697513
2-[[(2-bromo-4-chlorophenyl)carbamoylamino]methyl]-4-methylpentanoic acid
CID 81281262
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide
CID 103808541
(2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide
CID 104902736
2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide
CID 43712543
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 43707417

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide (CID 104903780) is (2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of (2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide?
The InChIKey is WVBXTPFPYPAVJA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-7(2)5-10(15)12(17)16-11-4-3-8(14)6-9(11)13/h3-4,6-7,10H,5,15H2,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide?
(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide has a molecular weight of 319.63 g/mol, XLogP of 3.41, 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-(2-bromo-4-chlorophenyl)-4-methylpentanamide is sourced from PubChem (CID 104903780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).