N-(4-bromo-3-fluorophenyl)-4-methylpentanamide

C12H15BrFNO — CID 65437614

IUPACN-(4-bromo-3-fluorophenyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C12H15BrFNO/c1-8(2)3-6-12(16)15-9-4-5-10(13)11(14)7-9/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyWYSKPTAJLIVZOV-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.96
Rot. Bonds4

About N-(4-bromo-3-fluorophenyl)-4-methylpentanamide

N-(4-bromo-3-fluorophenyl)-4-methylpentanamide (PubChem CID 65437614) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-4-methylpentanamide
PubChem CID65437614
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC NameN-(4-bromo-3-fluorophenyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C12H15BrFNO/c1-8(2)3-6-12(16)15-9-4-5-10(13)11(14)7-9/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyWYSKPTAJLIVZOV-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-3-fluorophenyl)octanamide
CID 65429012
N-(4-bromo-3-fluorophenyl)pent-4-enamide
CID 65429936
N-(4-bromo-3-fluorophenyl)-5-chloropentanamide
CID 65436710
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide
CID 65429192
(2S)-2-amino-N-[2-(4-bromo-3-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 82962397
3-(4-bromo-3-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114898654
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119280061
(2S)-2-amino-N-(4-bromo-3-fluorophenyl)-3-methylpentanamide
CID 65437911
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-4-methylpentanamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-4-methylpentanamide (CID 65437614) is N-(4-bromo-3-fluorophenyl)-4-methylpentanamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-4-methylpentanamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-4-methylpentanamide is CC(C)CCC(=O)Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-4-methylpentanamide?
The InChIKey is WYSKPTAJLIVZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-8(2)3-6-12(16)15-9-4-5-10(13)11(14)7-9/h4-5,7-8H,3,6H2,1-2H3,(H,15,16).
What are the key properties of N-(4-bromo-3-fluorophenyl)-4-methylpentanamide?
N-(4-bromo-3-fluorophenyl)-4-methylpentanamide has a molecular weight of 288.16 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-4-methylpentanamide is sourced from PubChem (CID 65437614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).