N-(3-fluoro-4-hydroxyphenyl)-N-methylacetamide

C9H10FNO2 — CID 45119305

IUPACN-(3-fluoro-4-hydroxyphenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(O)c(F)c1
InChIInChI=1S/C9H10FNO2/c1-6(12)11(2)7-3-4-9(13)8(10)5-7/h3-5,13H,1-2H3
InChIKeyDQOPLLJYDHTIRF-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.51
Rot. Bonds1

About N-(3-fluoro-4-hydroxyphenyl)-N-methylacetamide

N-(3-fluoro-4-hydroxyphenyl)-N-methylacetamide (PubChem CID 45119305) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-N-methylacetamide
PubChem CID45119305
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(O)c(F)c1
InChIInChI=1S/C9H10FNO2/c1-6(12)11(2)7-3-4-9(13)8(10)5-7/h3-5,13H,1-2H3
InChIKeyDQOPLLJYDHTIRF-UHFFFAOYSA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-N-methylacetamide (CID 45119305) is N-(3-fluoro-4-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-N-methylacetamide is CC(=O)N(C)c1ccc(O)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-N-methylacetamide?
The InChIKey is DQOPLLJYDHTIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-6(12)11(2)7-3-4-9(13)8(10)5-7/h3-5,13H,1-2H3.
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-N-methylacetamide?
N-(3-fluoro-4-hydroxyphenyl)-N-methylacetamide has a molecular weight of 183.18 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 45119305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).