3-[2-(difluoromethoxy)-5-methylphenyl]benzamide

C15H13F2NO2 — CID 126731000

IUPAC3-[2-(difluoromethoxy)-5-methylphenyl]benzamide
SMILESCc1ccc(OC(F)F)c(-c2cccc(C(N)=O)c2)c1
InChIInChI=1S/C15H13F2NO2/c1-9-5-6-13(20-15(16)17)12(7-9)10-3-2-4-11(8-10)14(18)19/h2-8,15H,1H3,(H2,18,19)
InChIKeyWWFHZFHOOOBLFH-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.36
Rot. Bonds4

About 3-[2-(difluoromethoxy)-5-methylphenyl]benzamide

3-[2-(difluoromethoxy)-5-methylphenyl]benzamide (PubChem CID 126731000) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)-5-methylphenyl]benzamide.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)-5-methylphenyl]benzamide
PubChem CID126731000
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name3-[2-(difluoromethoxy)-5-methylphenyl]benzamide
SMILESCc1ccc(OC(F)F)c(-c2cccc(C(N)=O)c2)c1
InChIInChI=1S/C15H13F2NO2/c1-9-5-6-13(20-15(16)17)12(7-9)10-3-2-4-11(8-10)14(18)19/h2-8,15H,1H3,(H2,18,19)
InChIKeyWWFHZFHOOOBLFH-UHFFFAOYSA-N
XLogP3.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(difluoromethoxy)-5-hydroxyphenyl]benzamide
CID 118446648
3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
CID 126731002
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
3-(difluoromethoxy)-4-(3-methylphenyl)benzoic acid
CID 164888618
(4-methyl-2-phenylphenyl) carbamate
CID 68986573
3-(2,5-dimethyl-3-pyridinyl)benzamide
CID 90320998
4-(difluoromethoxy)-3-fluorobenzamide
CID 90825397
3-(2,3,4-trimethoxyphenyl)benzamide
CID 174562773
3-methylbenzamide;2-methylpropane
CID 160767336
3-[5-butoxy-2-(difluoromethoxy)phenyl]-N-methylbenzamide
CID 118446897
1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone
CID 54912743
argon;ethane;3-methylbenzamide;molecular hydrogen
CID 144862945

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)-5-methylphenyl]benzamide?
The IUPAC name of 3-[2-(difluoromethoxy)-5-methylphenyl]benzamide (CID 126731000) is 3-[2-(difluoromethoxy)-5-methylphenyl]benzamide.
What is the SMILES notation for 3-[2-(difluoromethoxy)-5-methylphenyl]benzamide?
The canonical SMILES for 3-[2-(difluoromethoxy)-5-methylphenyl]benzamide is Cc1ccc(OC(F)F)c(-c2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[2-(difluoromethoxy)-5-methylphenyl]benzamide?
The InChIKey is WWFHZFHOOOBLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-9-5-6-13(20-15(16)17)12(7-9)10-3-2-4-11(8-10)14(18)19/h2-8,15H,1H3,(H2,18,19).
What are the key properties of 3-[2-(difluoromethoxy)-5-methylphenyl]benzamide?
3-[2-(difluoromethoxy)-5-methylphenyl]benzamide has a molecular weight of 277.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)-5-methylphenyl]benzamide is sourced from PubChem (CID 126731000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).