3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide

C15H12F3NO2 — CID 844019

IUPAC3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
SMILESCc1cc(F)ccc1NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H12F3NO2/c1-9-7-11(16)5-6-13(9)19-14(20)10-3-2-4-12(8-10)21-15(17)18/h2-8,15H,1H3,(H,19,20)
InChIKeySOPVORMBEAEBNC-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.99
Rot. Bonds4

About 3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide

3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide (PubChem CID 844019) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
PubChem CID844019
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
SMILESCc1cc(F)ccc1NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H12F3NO2/c1-9-7-11(16)5-6-13(9)19-14(20)10-3-2-4-12(8-10)21-15(17)18/h2-8,15H,1H3,(H,19,20)
InChIKeySOPVORMBEAEBNC-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 28973900
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid
CID 43452888
N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 46454255
N-(4-fluoro-2-methylphenyl)naphthalene-2-carboxamide
CID 7751885
3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 7925660
4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide
CID 1224653
N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide
CID 103766634
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide
CID 43549460
3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide
CID 35032050
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide (CID 844019) is 3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide is Cc1cc(F)ccc1NC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide?
The InChIKey is SOPVORMBEAEBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-9-7-11(16)5-6-13(9)19-14(20)10-3-2-4-12(8-10)21-15(17)18/h2-8,15H,1H3,(H,19,20).
What are the key properties of 3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide?
3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide has a molecular weight of 295.26 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide is sourced from PubChem (CID 844019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).