3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide

C15H14FNO2 — CID 53219633

IUPAC3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccc(O)cc2F)c1
InChIInChI=1S/C15H14FNO2/c1-17(2)15(19)11-5-3-4-10(8-11)13-7-6-12(18)9-14(13)16/h3-9,18H,1-2H3
InChIKeyOOKBVANUVNWQLM-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.90
Rot. Bonds2

About 3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide

3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide (PubChem CID 53219633) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide
PubChem CID53219633
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccc(O)cc2F)c1
InChIInChI=1S/C15H14FNO2/c1-17(2)15(19)11-5-3-4-10(8-11)13-7-6-12(18)9-14(13)16/h3-9,18H,1-2H3
InChIKeyOOKBVANUVNWQLM-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide (CID 53219633) is 3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2ccc(O)cc2F)c1.
What is the InChIKey of 3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide?
The InChIKey is OOKBVANUVNWQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-17(2)15(19)11-5-3-4-10(8-11)13-7-6-12(18)9-14(13)16/h3-9,18H,1-2H3.
What are the key properties of 3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide?
3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide has a molecular weight of 259.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide is sourced from PubChem (CID 53219633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).