(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide

C12H15BrClFN2O — CID 107611929

IUPAC(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H15BrClFN2O/c1-6(2)3-10(16)12(18)17-11-8(13)4-7(15)5-9(11)14/h4-6,10H,3,16H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyGWBHFNGNQOYLIL-SNVBAGLBSA-N
MW337.62 g/mol
LogP3.55
Rot. Bonds4

About (2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide

(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide (PubChem CID 107611929) has the molecular formula C12H15BrClFN2O and a molecular weight of 337.62 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
PubChem CID107611929
Molecular FormulaC12H15BrClFN2O
Molecular Weight337.62 g/mol
Exact Mass336.00
IUPAC Name(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H15BrClFN2O/c1-6(2)3-10(16)12(18)17-11-8(13)4-7(15)5-9(11)14/h4-6,10H,3,16H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyGWBHFNGNQOYLIL-SNVBAGLBSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.62
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide
CID 83079399
4-amino-5-(2-bromo-6-chloro-4-fluoroanilino)-5-oxopentanoic acid
CID 107611890
(2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide
CID 104903642
(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
CID 28991563
(2S)-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 107614541
3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide
CID 107615200
(2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide
CID 107611897
N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 107612455
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide
CID 103808541
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide
CID 83079089
1-(2-bromo-6-chloro-4-fluorophenyl)-3-(2-methylpropyl)thiourea
CID 107610834
2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline
CID 107610149

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide (CID 107611929) is (2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of (2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide?
The InChIKey is GWBHFNGNQOYLIL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15BrClFN2O/c1-6(2)3-10(16)12(18)17-11-8(13)4-7(15)5-9(11)14/h4-6,10H,3,16H2,1-2H3,(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide?
(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide has a molecular weight of 337.62 g/mol, XLogP of 3.55, 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-6-chloro-4-fluorophenyl)-4-methylpentanamide is sourced from PubChem (CID 107611929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).