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

C16H16F2N2O — CID 43692182

IUPAC2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NCc1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2O/c1-19-16(21)9-12-4-2-3-5-15(12)20-10-11-6-7-13(17)14(18)8-11/h2-8,20H,9-10H2,1H3,(H,19,21)
InChIKeyRZMQGTUHUZSEES-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.87
Rot. Bonds5

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

2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide (PubChem CID 43692182) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide
PubChem CID43692182
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NCc1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2O/c1-19-16(21)9-12-4-2-3-5-15(12)20-10-11-6-7-13(17)14(18)8-11/h2-8,20H,9-10H2,1H3,(H,19,21)
InChIKeyRZMQGTUHUZSEES-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(3-bromo-4-fluorophenyl)methylamino]phenyl]-N-methylacetamide
CID 43692242
2-[2-[(4-bromo-3-fluorophenyl)methylamino]phenyl]-N-methylacetamide
CID 81432064
2-[(3,4-difluorophenyl)methylamino]benzoic acid
CID 43322141
N-methyl-2-[2-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104756616
N-[(3,4-difluorophenyl)methyl]-2,6-diethylaniline
CID 82918896
2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63052031
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55244992
2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983
2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide
CID 61319910
N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide
CID 110781029
2-bromo-6-[(3,4-difluorophenyl)methylamino]benzoic acid
CID 114887963
2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid
CID 106699613

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide (CID 43692182) is 2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccccc1NCc1ccc(F)c(F)c1.
What is the InChIKey of 2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is RZMQGTUHUZSEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-19-16(21)9-12-4-2-3-5-15(12)20-10-11-6-7-13(17)14(18)8-11/h2-8,20H,9-10H2,1H3,(H,19,21).
What are the key properties of 2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide?
2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide has a molecular weight of 290.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 43692182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).