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

C14H20F2N2O — CID 54869994

IUPAC2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide
SMILESCC(C)CC(N)C(=O)N(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-9(2)6-13(17)14(19)18(3)8-10-4-5-11(15)12(16)7-10/h4-5,7,9,13H,6,8,17H2,1-3H3
InChIKeyMIVDXAVMTMJXEG-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.30
Rot. Bonds5

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

2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide (PubChem CID 54869994) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide
PubChem CID54869994
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide
SMILESCC(C)CC(N)C(=O)N(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-9(2)6-13(17)14(19)18(3)8-10-4-5-11(15)12(16)7-10/h4-5,7,9,13H,6,8,17H2,1-3H3
InChIKeyMIVDXAVMTMJXEG-UHFFFAOYSA-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 2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-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

Lisdexamfetamine
CID 11597698
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10194634
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(2-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216510
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216511
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301
(1S)-1-Cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-YL]-2-oxoethanamine
CID 6102824
Leucyl-phenylalanine amide
CID 3082491
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,4-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288162
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,5-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288163
Smac peptido-mimetic 1
CID 11200722
(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-1-ethyl-3-methyl-1,4-diazepan-2-one
CID 23647114

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide?
The IUPAC name of 2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide (CID 54869994) is 2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide?
The canonical SMILES for 2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide is CC(C)CC(N)C(=O)N(C)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide?
The InChIKey is MIVDXAVMTMJXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-9(2)6-13(17)14(19)18(3)8-10-4-5-11(15)12(16)7-10/h4-5,7,9,13H,6,8,17H2,1-3H3.
What are the key properties of 2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide?
2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-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 2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 54869994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).