3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide

C14H11F2NO2 — CID 107735801

IUPAC3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)c(F)c1)c1cccc(O)c1
InChIInChI=1S/C14H11F2NO2/c1-17(10-3-2-4-11(18)8-10)14(19)9-5-6-12(15)13(16)7-9/h2-8,18H,1H3
InChIKeyNSVFDZURZLHRFX-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.95
Rot. Bonds2

About 3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide

3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide (PubChem CID 107735801) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
PubChem CID107735801
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)c(F)c1)c1cccc(O)c1
InChIInChI=1S/C14H11F2NO2/c1-17(10-3-2-4-11(18)8-10)14(19)9-5-6-12(15)13(16)7-9/h2-8,18H,1H3
InChIKeyNSVFDZURZLHRFX-UHFFFAOYSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735623
4-hydroxy-N-(3-hydroxyphenyl)-N,3-dimethylbenzamide
CID 107735629
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
CID 107736061
6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide
CID 114009640
N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide
CID 113094861
2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735649
N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
CID 28894090
N-(3-hydroxyphenyl)-N-methylpyridine-4-carboxamide
CID 107735844
3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735708
3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739062
N-(3-hydroxyphenyl)-N,2-dimethylpyridine-4-carboxamide
CID 107735739

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide?
The IUPAC name of 3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide (CID 107735801) is 3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide?
The canonical SMILES for 3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide is CN(C(=O)c1ccc(F)c(F)c1)c1cccc(O)c1.
What is the InChIKey of 3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide?
The InChIKey is NSVFDZURZLHRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-17(10-3-2-4-11(18)8-10)14(19)9-5-6-12(15)13(16)7-9/h2-8,18H,1H3.
What are the key properties of 3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide?
3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide has a molecular weight of 263.24 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 107735801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).