2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide

C16H16FNO2 — CID 56715868

IUPAC2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(-c2cc(OC)ccc2F)cc1
InChIInChI=1S/C16H16FNO2/c1-18-16(19)9-11-3-5-12(6-4-11)14-10-13(20-2)7-8-15(14)17/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyKRONVEPPVBJGAY-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.79
Rot. Bonds4

About 2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide

2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide (PubChem CID 56715868) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide
PubChem CID56715868
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(-c2cc(OC)ccc2F)cc1
InChIInChI=1S/C16H16FNO2/c1-18-16(19)9-11-3-5-12(6-4-11)14-10-13(20-2)7-8-15(14)17/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyKRONVEPPVBJGAY-UHFFFAOYSA-N
XLogP2.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-fluoro-4-{3-[(hexylcarbamoyl)oxy]phenyl}phenyl)propanoic acid
CID 117072556
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-(2-(3,4-Dimethoxyphenyl)ethyl)-2-(4-methoxyphenyl)acetamide
CID 4321627
Bomppa
CID 71508234
N-methyl-2-oxo-8-(4-phenylphenoxy)octanamide
CID 44341043
FAAH/COX inhibitor ARN2508
CID 72792469
N-(2-(1-Cyclohexen-1-yl)ethyl)-4-methoxybenzeneacetamide
CID 703658
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 894935
Benzeneacetamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071629
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(4-methoxyphenyl)phenyl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895830
(2R)-2-(3-fluoro-4-{3-[(hexylcarbamoyl)oxy]phenyl}phenyl)propanoic acid
CID 117072557
N-[(E)-3-(3-methoxyphenyl)-3-phenylprop-2-enyl]cyclobutanecarboxamide
CID 16094585

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide (CID 56715868) is 2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(-c2cc(OC)ccc2F)cc1.
What is the InChIKey of 2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide?
The InChIKey is KRONVEPPVBJGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-18-16(19)9-11-3-5-12(6-4-11)14-10-13(20-2)7-8-15(14)17/h3-8,10H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide?
2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide has a molecular weight of 273.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 56715868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).