N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide

C15H12ClF2NO2 — CID 4851105

IUPACN-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccccc1OC(F)F
InChIInChI=1S/C15H12ClF2NO2/c16-11-5-3-4-10(8-11)9-19-14(20)12-6-1-2-7-13(12)21-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyLGAJYWVQLCJRHD-UHFFFAOYSA-N
MW311.72 g/mol
LogP3.87
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide

N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide (PubChem CID 4851105) has the molecular formula C15H12ClF2NO2 and a molecular weight of 311.72 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide
PubChem CID4851105
Molecular FormulaC15H12ClF2NO2
Molecular Weight311.72 g/mol
Exact Mass311.05
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccccc1OC(F)F
InChIInChI=1S/C15H12ClF2NO2/c16-11-5-3-4-10(8-11)9-19-14(20)12-6-1-2-7-13(12)21-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyLGAJYWVQLCJRHD-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

N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
N-[(3-aminophenyl)methyl]-2-(difluoromethoxy)benzamide
CID 62499799
N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 51158712
N-[(3-carbamoylphenyl)methyl]-2-(difluoromethoxy)benzamide
CID 32637415
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
N-[(3-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 2171958
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide
CID 9209881
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46422070

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide (CID 4851105) is N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide is O=C(NCc1cccc(Cl)c1)c1ccccc1OC(F)F.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide?
The InChIKey is LGAJYWVQLCJRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO2/c16-11-5-3-4-10(8-11)9-19-14(20)12-6-1-2-7-13(12)21-15(17)18/h1-8,15H,9H2,(H,19,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide?
N-[(3-chlorophenyl)methyl]-2-(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-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 4851105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).