(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide

C12H16BrFN2O — CID 61174208

IUPAC(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O/c1-3-7(2)11(15)12(17)16-10-5-4-8(13)6-9(10)14/h4-7,11H,3,15H2,1-2H3,(H,16,17)/t7?,11-/m0/s1
InChIKeyDOWYPMZHPAOCFL-QRIDDKLISA-N
MW303.18 g/mol
LogP2.90
Rot. Bonds4

About (2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide

(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide (PubChem CID 61174208) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide
PubChem CID61174208
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O/c1-3-7(2)11(15)12(17)16-10-5-4-8(13)6-9(10)14/h4-7,11H,3,15H2,1-2H3,(H,16,17)/t7?,11-/m0/s1
InChIKeyDOWYPMZHPAOCFL-QRIDDKLISA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide
CID 43702668
(2S,3S)-2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide
CID 61180794
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride
CID 119673993
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-fluorobenzoic acid
CID 63188226
(2S,3S)-2-amino-N-(5-bromo-2-methylphenyl)-3-methylpentanamide
CID 61178087
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
CID 62856454
(2S,3S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3-methylpentanamide
CID 54967599
2-amino-N-(4-bromo-2-nitrophenyl)-3-methylpentanamide
CID 43711584
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide (CID 61174208) is (2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of (2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide?
The InChIKey is DOWYPMZHPAOCFL-QRIDDKLISA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-3-7(2)11(15)12(17)16-10-5-4-8(13)6-9(10)14/h4-7,11H,3,15H2,1-2H3,(H,16,17)/t7?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide?
(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide has a molecular weight of 303.18 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide is sourced from PubChem (CID 61174208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).