2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide

C13H18F2N2O — CID 55053137

IUPAC2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-3-8(2)12(16)13(18)17-7-9-4-5-10(14)6-11(9)15/h4-6,8,12H,3,7,16H2,1-2H3,(H,17,18)
InChIKeyIPCNTEJNPFOLHT-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.95
Rot. Bonds5

About 2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide

2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide (PubChem CID 55053137) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
PubChem CID55053137
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-3-8(2)12(16)13(18)17-7-9-4-5-10(14)6-11(9)15/h4-6,8,12H,3,7,16H2,1-2H3,(H,17,18)
InChIKeyIPCNTEJNPFOLHT-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62229790
3-chloro-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62726867
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119708034
(2S,3S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 62227396
3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride
CID 119708041
(2S,3S)-2-amino-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylpentanamide
CID 61155382
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide
CID 61173739
N'-[(2,4-difluorophenyl)methyl]oxamide
CID 115191832
(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62879432
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide
CID 119730114
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368637

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide (CID 55053137) is 2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of 2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide?
The InChIKey is IPCNTEJNPFOLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-3-8(2)12(16)13(18)17-7-9-4-5-10(14)6-11(9)15/h4-6,8,12H,3,7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide?
2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide has a molecular weight of 256.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide is sourced from PubChem (CID 55053137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).