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

C11H14F2N2O — CID 61057403

IUPAC2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2O/c1-7(11(16)14-2)15-6-8-3-4-9(12)5-10(8)13/h3-5,7,15H,6H2,1-2H3,(H,14,16)
InChIKeyMOMLGKGUJJAHHX-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.19
Rot. Bonds4

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

2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide (PubChem CID 61057403) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide
PubChem CID61057403
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2O/c1-7(11(16)14-2)15-6-8-3-4-9(12)5-10(8)13/h3-5,7,15H,6H2,1-2H3,(H,14,16)
InChIKeyMOMLGKGUJJAHHX-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

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Related Compounds

2-[(2,5-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057988
N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide
CID 55037642
(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103944137
2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide
CID 102615565
2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62050086
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
(2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 91660689
2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983
2-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpropanamide
CID 81002150
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide
CID 94332389

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide?
The IUPAC name of 2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide (CID 61057403) is 2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide?
The InChIKey is MOMLGKGUJJAHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-7(11(16)14-2)15-6-8-3-4-9(12)5-10(8)13/h3-5,7,15H,6H2,1-2H3,(H,14,16).
What are the key properties of 2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide?
2-[(2,4-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-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 61057403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).