2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide

C16H16F2N2O — CID 166293058

IUPAC2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide
SMILESCNc1ccc(CNC(=O)Cc2c(F)cccc2F)cc1
InChIInChI=1S/C16H16F2N2O/c1-19-12-7-5-11(6-8-12)10-20-16(21)9-13-14(17)3-2-4-15(13)18/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyRSIPDWWWMCNMSA-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.87
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide

2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide (PubChem CID 166293058) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide
PubChem CID166293058
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide
SMILESCNc1ccc(CNC(=O)Cc2c(F)cccc2F)cc1
InChIInChI=1S/C16H16F2N2O/c1-19-12-7-5-11(6-8-12)10-20-16(21)9-13-14(17)3-2-4-15(13)18/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyRSIPDWWWMCNMSA-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-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 107231725
N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide
CID 107233811
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350
2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide
CID 114618657
2-(2-chloro-6-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63310904
2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 71683363
2-(7-fluoro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 110851272
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 42852618
N-benzyl-2-[4-[(4-fluorophenyl)methylamino]phenyl]acetamide
CID 46045383
2-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 17478720

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide (CID 166293058) is 2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide is CNc1ccc(CNC(=O)Cc2c(F)cccc2F)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide?
The InChIKey is RSIPDWWWMCNMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-19-12-7-5-11(6-8-12)10-20-16(21)9-13-14(17)3-2-4-15(13)18/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of 2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide?
2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]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-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 166293058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).