4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide

C16H15F2NO2 — CID 1224653

IUPAC4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(OC(F)F)cc2)c(C)c1
InChIInChI=1S/C16H15F2NO2/c1-10-3-8-14(11(2)9-10)19-15(20)12-4-6-13(7-5-12)21-16(17)18/h3-9,16H,1-2H3,(H,19,20)
InChIKeyTYSPHNVHBKWXCN-UHFFFAOYSA-N
MW291.30 g/mol
LogP4.16
Rot. Bonds4

About 4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide

4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide (PubChem CID 1224653) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide
PubChem CID1224653
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(OC(F)F)cc2)c(C)c1
InChIInChI=1S/C16H15F2NO2/c1-10-3-8-14(11(2)9-10)19-15(20)12-4-6-13(7-5-12)21-16(17)18/h3-9,16H,1-2H3,(H,19,20)
InChIKeyTYSPHNVHBKWXCN-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid
CID 7137692
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
propan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3712073
1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043157
propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 5065242
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide
CID 2676650
N-(2-hydroxy-4-methylphenyl)-4-propan-2-yloxybenzamide
CID 27681755
3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
CID 844019
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 9023972
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide
CID 16654323

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide (CID 1224653) is 4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2)c(C)c1.
What is the InChIKey of 4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide?
The InChIKey is TYSPHNVHBKWXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-10-3-8-14(11(2)9-10)19-15(20)12-4-6-13(7-5-12)21-16(17)18/h3-9,16H,1-2H3,(H,19,20).
What are the key properties of 4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide?
4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide has a molecular weight of 291.30 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide is sourced from PubChem (CID 1224653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).