3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide

C15H13F2NO3 — CID 107735708

IUPAC3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(OC(F)F)c1)c1cccc(O)c1
InChIInChI=1S/C15H13F2NO3/c1-18(11-5-3-6-12(19)9-11)14(20)10-4-2-7-13(8-10)21-15(16)17/h2-9,15,19H,1H3
InChIKeyUOCIUEYMQWYZCY-UHFFFAOYSA-N
MW293.27 g/mol
LogP3.27
Rot. Bonds4

About 3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide

3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide (PubChem CID 107735708) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide
PubChem CID107735708
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(OC(F)F)c1)c1cccc(O)c1
InChIInChI=1S/C15H13F2NO3/c1-18(11-5-3-6-12(19)9-11)14(20)10-4-2-7-13(8-10)21-15(16)17/h2-9,15,19H,1H3
InChIKeyUOCIUEYMQWYZCY-UHFFFAOYSA-N
XLogP3.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735801
3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735623
3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739062
4-hydroxy-N-(3-hydroxyphenyl)-N,3-dimethylbenzamide
CID 107735629
N-(3-hydroxyphenyl)-N-methylpyridine-4-carboxamide
CID 107735844
N-(3-hydroxyphenyl)-N,2-dimethylpyridine-4-carboxamide
CID 107735739
3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 86833598
N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
CID 107736061
3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76979219
6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide
CID 114009640
1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
CID 59682159

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide (CID 107735708) is 3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide is CN(C(=O)c1cccc(OC(F)F)c1)c1cccc(O)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide?
The InChIKey is UOCIUEYMQWYZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c1-18(11-5-3-6-12(19)9-11)14(20)10-4-2-7-13(8-10)21-15(16)17/h2-9,15,19H,1H3.
What are the key properties of 3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide?
3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide has a molecular weight of 293.27 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 107735708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).