2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide

C16H16F2N2O — CID 84589209

IUPAC2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide
SMILESCNCc1cccc(NC(=O)Cc2cc(F)ccc2F)c1
InChIInChI=1S/C16H16F2N2O/c1-19-10-11-3-2-4-14(7-11)20-16(21)9-12-8-13(17)5-6-15(12)18/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeySVPNCLGILBNBAI-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.87
Rot. Bonds5

About 2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide

2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide (PubChem CID 84589209) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide
PubChem CID84589209
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide
SMILESCNCc1cccc(NC(=O)Cc2cc(F)ccc2F)c1
InChIInChI=1S/C16H16F2N2O/c1-19-10-11-3-2-4-14(7-11)20-16(21)9-12-8-13(17)5-6-15(12)18/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeySVPNCLGILBNBAI-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

N-[3-(methylaminomethyl)phenyl]-2-(3-methylphenyl)acetamide
CID 62388896
5-fluoro-2-hydroxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 115299348
2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976
3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 63186754
1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea
CID 43602491
2-[[N-[(2,5-difluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-(3-ethylphenyl)acetamide
CID 111903205
4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide
CID 79192534
dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate
CID 102407593
2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide
CID 106909849
2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride
CID 119441041
N-[3-(methylaminomethyl)phenyl]-3-methylsulfonylpropanamide
CID 54895428
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide (CID 84589209) is 2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide is CNCc1cccc(NC(=O)Cc2cc(F)ccc2F)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide?
The InChIKey is SVPNCLGILBNBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-19-10-11-3-2-4-14(7-11)20-16(21)9-12-8-13(17)5-6-15(12)18/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of 2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide?
2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide 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-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide is sourced from PubChem (CID 84589209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).