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

C16H16F2N2O — CID 71978040

IUPACN-[2-[(2,3-difluorophenyl)methylamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1NCc1cccc(F)c1F
InChIInChI=1S/C16H16F2N2O/c1-11(21)20(2)15-9-4-3-8-14(15)19-10-12-6-5-7-13(17)16(12)18/h3-9,19H,10H2,1-2H3
InChIKeyZGJKKAXWLDHCOM-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.56
Rot. Bonds4

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

N-[2-[(2,3-difluorophenyl)methylamino]phenyl]-N-methylacetamide (PubChem CID 71978040) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[2-[(2,3-difluorophenyl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[(2,3-difluorophenyl)methylamino]phenyl]-N-methylacetamide
PubChem CID71978040
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-[2-[(2,3-difluorophenyl)methylamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1NCc1cccc(F)c1F
InChIInChI=1S/C16H16F2N2O/c1-11(21)20(2)15-9-4-3-8-14(15)19-10-12-6-5-7-13(17)16(12)18/h3-9,19H,10H2,1-2H3
InChIKeyZGJKKAXWLDHCOM-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726653
N-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide
CID 110006672
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
methyl 3-[[2-[acetyl(methyl)amino]anilino]methyl]-4-chlorobenzoate
CID 84599306
N-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide
CID 71973343
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
CID 102847298
N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide
CID 43425139
2-[(2-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43432309
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
N-(2,3-difluorophenyl)-N-methyl-2-phenylacetamide
CID 67194482
2-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726496
(2,3-difluorophenyl)-methylcarbamic acid
CID 67274769

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-difluorophenyl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[2-[(2,3-difluorophenyl)methylamino]phenyl]-N-methylacetamide (CID 71978040) is N-[2-[(2,3-difluorophenyl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[(2,3-difluorophenyl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[2-[(2,3-difluorophenyl)methylamino]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccccc1NCc1cccc(F)c1F.
What is the InChIKey of N-[2-[(2,3-difluorophenyl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is ZGJKKAXWLDHCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-11(21)20(2)15-9-4-3-8-14(15)19-10-12-6-5-7-13(17)16(12)18/h3-9,19H,10H2,1-2H3.
What are the key properties of N-[2-[(2,3-difluorophenyl)methylamino]phenyl]-N-methylacetamide?
N-[2-[(2,3-difluorophenyl)methylamino]phenyl]-N-methylacetamide has a molecular weight of 290.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-difluorophenyl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 71978040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).