2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride

C11H15BrClFN2O — CID 119280061

IUPAC2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)Nc1ccc(Br)c(F)c1.Cl
InChIInChI=1S/C11H14BrFN2O.ClH/c1-6(2)10(14)11(16)15-7-3-4-8(12)9(13)5-7;/h3-6,10H,14H2,1-2H3,(H,15,16);1H
InChIKeyJBPFQELCSRRGEX-UHFFFAOYSA-N
MW325.61 g/mol
LogP2.93
Rot. Bonds3

About 2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride

2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride (PubChem CID 119280061) has the molecular formula C11H15BrClFN2O and a molecular weight of 325.61 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride
PubChem CID119280061
Molecular FormulaC11H15BrClFN2O
Molecular Weight325.61 g/mol
Exact Mass324.00
IUPAC Name2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)Nc1ccc(Br)c(F)c1.Cl
InChIInChI=1S/C11H14BrFN2O.ClH/c1-6(2)10(14)11(16)15-7-3-4-8(12)9(13)5-7;/h3-6,10H,14H2,1-2H3,(H,15,16);1H
InChIKeyJBPFQELCSRRGEX-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.61
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide
CID 104778265
(2S)-2-amino-N-(4-bromo-3-fluorophenyl)-3-methylpentanamide
CID 65437911
(2S)-2-amino-N-[2-(4-bromo-3-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 82962397
2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide
CID 43708823
3-(4-bromo-3-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114898654
5-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-fluorobenzamide
CID 61180405
5-[(2-amino-3-methylbutanoyl)amino]-2-fluorobenzamide
CID 43706561
(2S)-2-amino-N-(4-ethoxy-3-fluorophenyl)-3-methylbutanamide
CID 113264021
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 43712924
N-(4-bromo-3-fluorophenyl)-4-methylpentanamide
CID 65437614
(2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide
CID 81271294

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride (CID 119280061) is 2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride is CC(C)C(N)C(=O)Nc1ccc(Br)c(F)c1.Cl.
What is the InChIKey of 2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride?
The InChIKey is JBPFQELCSRRGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O.ClH/c1-6(2)10(14)11(16)15-7-3-4-8(12)9(13)5-7;/h3-6,10H,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride?
2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride has a molecular weight of 325.61 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119280061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).