N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide

C16H13Cl2F2NO2 — CID 112792497

IUPACN-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H13Cl2F2NO2/c1-21(9-10-5-6-13(17)14(18)7-10)15(22)11-3-2-4-12(8-11)23-16(19)20/h2-8,16H,9H2,1H3
InChIKeyNLDHPYMPBBDWDY-UHFFFAOYSA-N
MW360.19 g/mol
LogP4.87
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide

N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide (PubChem CID 112792497) has the molecular formula C16H13Cl2F2NO2 and a molecular weight of 360.19 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
PubChem CID112792497
Molecular FormulaC16H13Cl2F2NO2
Molecular Weight360.19 g/mol
Exact Mass359.03
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H13Cl2F2NO2/c1-21(9-10-5-6-13(17)14(18)7-10)15(22)11-3-2-4-12(8-11)23-16(19)20/h2-8,16H,9H2,1H3
InChIKeyNLDHPYMPBBDWDY-UHFFFAOYSA-N
XLogP4.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112790356
3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 136577410
N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide
CID 60628796
3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452126
N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 31238590
5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 171547573
3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 86833598
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 9081759
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81480668
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938287
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763358

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide (CID 112792497) is N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide?
The InChIKey is NLDHPYMPBBDWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F2NO2/c1-21(9-10-5-6-13(17)14(18)7-10)15(22)11-3-2-4-12(8-11)23-16(19)20/h2-8,16H,9H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide?
N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide has a molecular weight of 360.19 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide is sourced from PubChem (CID 112792497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).