2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide

C11H14F2N2O — CID 61057983

IUPAC2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2O/c1-7(11(16)14-2)15-6-8-3-4-9(12)10(13)5-8/h3-5,7,15H,6H2,1-2H3,(H,14,16)
InChIKeyFABXGXJFOGFULB-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.19
Rot. Bonds4

About 2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide

2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide (PubChem CID 61057983) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
PubChem CID61057983
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2O/c1-7(11(16)14-2)15-6-8-3-4-9(12)10(13)5-8/h3-5,7,15H,6H2,1-2H3,(H,14,16)
InChIKeyFABXGXJFOGFULB-UHFFFAOYSA-N
XLogP1.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide 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

(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide
CID 94332389
2-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpropanamide
CID 81002150
(2S)-2-[(3,4-difluorophenyl)methylamino]propanoic acid
CID 83195012
methyl 2-fluoro-4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
CID 106699905
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
2-[(2,5-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057988
2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide
CID 43400841
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 112683661
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 107685981
(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
CID 93383408
2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406683
2-[(3-iodophenyl)methylamino]-N-methylpropanamide
CID 20823789

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide?
The IUPAC name of 2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide (CID 61057983) is 2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide?
The InChIKey is FABXGXJFOGFULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-7(11(16)14-2)15-6-8-3-4-9(12)10(13)5-8/h3-5,7,15H,6H2,1-2H3,(H,14,16).
What are the key properties of 2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide?
2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide has a molecular weight of 228.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 61057983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).