N-(2,4-difluorophenyl)-2-methylpentanamide

C12H15F2NO — CID 2904798

IUPACN-(2,4-difluorophenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO/c1-3-4-8(2)12(16)15-11-6-5-9(13)7-10(11)14/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyGGUFCVBFBJLYBN-UHFFFAOYSA-N
MW227.25 g/mol
LogP3.34
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-methylpentanamide

N-(2,4-difluorophenyl)-2-methylpentanamide (PubChem CID 2904798) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-methylpentanamide
PubChem CID2904798
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-(2,4-difluorophenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO/c1-3-4-8(2)12(16)15-11-6-5-9(13)7-10(11)14/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyGGUFCVBFBJLYBN-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]pentanoic acid
CID 43631780
(2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide
CID 2547216
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437
(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide
CID 884870
4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide
CID 80542109
N-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 60546289
1-(2,4-difluorophenyl)-3-(4-hydroxybutan-2-yl)urea
CID 78998254
N-(4-amino-2-fluorophenyl)-2-methylbutanamide
CID 43831298
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
2-cyano-N-(2,4-difluorophenyl)propanamide
CID 55208250
5-amino-N-(2-bromo-4-fluorophenyl)-2-methylpentanamide
CID 104683578

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-methylpentanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-methylpentanamide (CID 2904798) is N-(2,4-difluorophenyl)-2-methylpentanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-methylpentanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-methylpentanamide?
The InChIKey is GGUFCVBFBJLYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-3-4-8(2)12(16)15-11-6-5-9(13)7-10(11)14/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-(2,4-difluorophenyl)-2-methylpentanamide?
N-(2,4-difluorophenyl)-2-methylpentanamide has a molecular weight of 227.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-methylpentanamide is sourced from PubChem (CID 2904798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).