(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide

C12H16BrFN2O — CID 103808541

IUPAC(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H16BrFN2O/c1-7(2)5-10(15)12(17)16-11-6-8(14)3-4-9(11)13/h3-4,6-7,10H,5,15H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyGSSCWKQEWQPJOM-JTQLQIEISA-N
MW303.18 g/mol
LogP2.90
Rot. Bonds4

About (2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide

(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide (PubChem CID 103808541) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide
PubChem CID103808541
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H16BrFN2O/c1-7(2)5-10(15)12(17)16-11-6-8(14)3-4-9(11)13/h3-4,6-7,10H,5,15H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyGSSCWKQEWQPJOM-JTQLQIEISA-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

(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide
CID 103794714
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide
CID 107625667
3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide
CID 107625700
2-(aminomethyl)-N-(2-bromo-5-fluorophenyl)-4,4-dimethylpentanamide
CID 107625734
(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 104903780
(2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide
CID 104902736
(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide
CID 104903984
2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide
CID 43712543
(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 107611929
2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide
CID 24697513
(2S)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 61178655
(2-bromo-5-fluorophenyl)urea
CID 99639427

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide (CID 103808541) is (2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of (2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide?
The InChIKey is GSSCWKQEWQPJOM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-7(2)5-10(15)12(17)16-11-6-8(14)3-4-9(11)13/h3-4,6-7,10H,5,15H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide?
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-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-(2-bromo-5-fluorophenyl)-4-methylpentanamide is sourced from PubChem (CID 103808541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).