N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxy-N-methylacetamide

C12H16FNO2 — CID 20785633

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)Cc1ccc(C)c(F)c1
InChIInChI=1S/C12H16FNO2/c1-9-4-5-10(6-11(9)13)7-14(2)12(15)8-16-3/h4-6H,7-8H2,1-3H3
InChIKeyCIYKTVGXEJZAIZ-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.74
Rot. Bonds4

About N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxy-N-methylacetamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxy-N-methylacetamide (PubChem CID 20785633) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-methoxy-N-methylacetamide
PubChem CID20785633
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)Cc1ccc(C)c(F)c1
InChIInChI=1S/C12H16FNO2/c1-9-4-5-10(6-11(9)13)7-14(2)12(15)8-16-3/h4-6H,7-8H2,1-3H3
InChIKeyCIYKTVGXEJZAIZ-UHFFFAOYSA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxy-N-methylacetamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxy-N-methylacetamide (CID 20785633) is N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxy-N-methylacetamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxy-N-methylacetamide is COCC(=O)N(C)Cc1ccc(C)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxy-N-methylacetamide?
The InChIKey is CIYKTVGXEJZAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9-4-5-10(6-11(9)13)7-14(2)12(15)8-16-3/h4-6H,7-8H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxy-N-methylacetamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxy-N-methylacetamide has a molecular weight of 225.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxy-N-methylacetamide is sourced from PubChem (CID 20785633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).