N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide

C15H12ClF2NO2 — CID 2092118

IUPACN-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H12ClF2NO2/c16-12-6-4-10(5-7-12)9-19-14(20)11-2-1-3-13(8-11)21-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyWPSPGUWWRUKGOZ-UHFFFAOYSA-N
MW311.72 g/mol
LogP3.87
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide

N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide (PubChem CID 2092118) has the molecular formula C15H12ClF2NO2 and a molecular weight of 311.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide
PubChem CID2092118
Molecular FormulaC15H12ClF2NO2
Molecular Weight311.72 g/mol
Exact Mass311.05
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H12ClF2NO2/c16-12-6-4-10(5-7-12)9-19-14(20)11-2-1-3-13(8-11)21-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyWPSPGUWWRUKGOZ-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736173
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide
CID 19283733
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(difluoromethoxy)benzamide
CID 9048850
3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 2675191
N-(5-chloropentyl)-3-(difluoromethoxy)benzamide
CID 107321329
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 135741409
N-(3,3-difluoro-2-hydroxypropyl)-3-(difluoromethoxy)benzamide
CID 103769717
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735183
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(difluoromethoxy)benzamide
CID 55749833

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide (CID 2092118) is N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide is O=C(NCc1ccc(Cl)cc1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide?
The InChIKey is WPSPGUWWRUKGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO2/c16-12-6-4-10(5-7-12)9-19-14(20)11-2-1-3-13(8-11)21-15(17)18/h1-8,15H,9H2,(H,19,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide?
N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide has a molecular weight of 311.72 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 2092118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).