3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide

C17H16F2N2O3 — CID 8698643

IUPAC3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C17H16F2N2O3/c1-21(2)16(23)11-6-8-13(9-7-11)20-15(22)12-4-3-5-14(10-12)24-17(18)19/h3-10,17H,1-2H3,(H,20,22)
InChIKeyLNMLJNJWKIDTRZ-UHFFFAOYSA-N
MW334.32 g/mol
LogP3.24
Rot. Bonds5

About 3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide

3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide (PubChem CID 8698643) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
PubChem CID8698643
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C17H16F2N2O3/c1-21(2)16(23)11-6-8-13(9-7-11)20-15(22)12-4-3-5-14(10-12)24-17(18)19/h3-10,17H,1-2H3,(H,20,22)
InChIKeyLNMLJNJWKIDTRZ-UHFFFAOYSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 7925214
N-[4-(dimethylcarbamoyl)phenyl]-3-(2-ethoxyethoxy)benzamide
CID 17231253
2-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 26904916
3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 110902273
3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925305
3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 100750034
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide
CID 7948721
3-(difluoromethoxy)-N-(6-fluoro-3-pyridinyl)benzamide
CID 103789754
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 46454255
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide (CID 8698643) is 3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide is CN(C)C(=O)c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1.
What is the InChIKey of 3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide?
The InChIKey is LNMLJNJWKIDTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-21(2)16(23)11-6-8-13(9-7-11)20-15(22)12-4-3-5-14(10-12)24-17(18)19/h3-10,17H,1-2H3,(H,20,22).
What are the key properties of 3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide?
3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide has a molecular weight of 334.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 8698643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).