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

C14H20F2N2O — CID 61173739

IUPAC(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O/c1-4-9(2)13(17)14(19)18(3)8-10-5-6-11(15)7-12(10)16/h5-7,9,13H,4,8,17H2,1-3H3/t9?,13-/m0/s1
InChIKeyWIDGUSMCPFTILR-NCWAPJAISA-N
MW270.32 g/mol
LogP2.30
Rot. Bonds5

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

(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide (PubChem CID 61173739) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide
PubChem CID61173739
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O/c1-4-9(2)13(17)14(19)18(3)8-10-5-6-11(15)7-12(10)16/h5-7,9,13H,4,8,17H2,1-3H3/t9?,13-/m0/s1
InChIKeyWIDGUSMCPFTILR-NCWAPJAISA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide
CID 119764798
2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 107904260
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929162
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119703011
(2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164001
2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
CID 55053137
(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide
CID 61154727
2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 134046656
2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 79345363
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
(2S)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylpentanamide
CID 61174450

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide (CID 61173739) is (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide is CCC(C)[C@H](N)C(=O)N(C)Cc1ccc(F)cc1F.
What is the InChIKey of (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide?
The InChIKey is WIDGUSMCPFTILR-NCWAPJAISA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-4-9(2)13(17)14(19)18(3)8-10-5-6-11(15)7-12(10)16/h5-7,9,13H,4,8,17H2,1-3H3/t9?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide?
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide has a molecular weight of 270.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide is sourced from PubChem (CID 61173739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).