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

C16H14ClF2NO2 — CID 112790356

IUPACN-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H14ClF2NO2/c1-20(10-12-5-2-3-8-14(12)17)15(21)11-6-4-7-13(9-11)22-16(18)19/h2-9,16H,10H2,1H3
InChIKeyWELMPLMJDXOSNL-UHFFFAOYSA-N
MW325.74 g/mol
LogP4.21
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide (PubChem CID 112790356) has the molecular formula C16H14ClF2NO2 and a molecular weight of 325.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
PubChem CID112790356
Molecular FormulaC16H14ClF2NO2
Molecular Weight325.74 g/mol
Exact Mass325.07
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H14ClF2NO2/c1-20(10-12-5-2-3-8-14(12)17)15(21)11-6-4-7-13(9-11)22-16(18)19/h2-9,16H,10H2,1H3
InChIKeyWELMPLMJDXOSNL-UHFFFAOYSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.74
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112792497
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286
3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 136577410
3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452126
3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 86833598
N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 112790335
N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide
CID 112790366
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60937650
3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 100750097
3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 96581020

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide (CID 112790356) is N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide is CN(Cc1ccccc1Cl)C(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide?
The InChIKey is WELMPLMJDXOSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO2/c1-20(10-12-5-2-3-8-14(12)17)15(21)11-6-4-7-13(9-11)22-16(18)19/h2-9,16H,10H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide?
N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide has a molecular weight of 325.74 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide is sourced from PubChem (CID 112790356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).