2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide

C18H18F2N2O3 — CID 46422070

IUPAC2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2ccccc2OC(F)F)cc1
InChIInChI=1S/C18H18F2N2O3/c1-22(2)17(24)13-9-7-12(8-10-13)11-21-16(23)14-5-3-4-6-15(14)25-18(19)20/h3-10,18H,11H2,1-2H3,(H,21,23)
InChIKeyMDYHIPLXRXVZKO-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.92
Rot. Bonds6

About 2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide

2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 46422070) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
PubChem CID46422070
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2ccccc2OC(F)F)cc1
InChIInChI=1S/C18H18F2N2O3/c1-22(2)17(24)13-9-7-12(8-10-13)11-21-16(23)14-5-3-4-6-15(14)25-18(19)20/h3-10,18H,11H2,1-2H3,(H,21,23)
InChIKeyMDYHIPLXRXVZKO-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
2-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 26904916
2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 134039227
4-[[[N-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111864682
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-[(3-carbamoylphenyl)methyl]-2-(difluoromethoxy)benzamide
CID 32637415
N-[(3-aminophenyl)methyl]-2-(difluoromethoxy)benzamide
CID 62499799
N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide
CID 4851105
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 134052140

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide (CID 46422070) is 2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide is CN(C)C(=O)c1ccc(CNC(=O)c2ccccc2OC(F)F)cc1.
What is the InChIKey of 2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is MDYHIPLXRXVZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-22(2)17(24)13-9-7-12(8-10-13)11-21-16(23)14-5-3-4-6-15(14)25-18(19)20/h3-10,18H,11H2,1-2H3,(H,21,23).
What are the key properties of 2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide?
2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 348.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 46422070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).