N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide

C15H12ClF2NO2 — CID 114298284

IUPACN-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide
SMILESO=C(Nc1ccccc1CCl)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H12ClF2NO2/c16-9-11-4-1-2-7-13(11)19-14(20)10-5-3-6-12(8-10)21-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyVLZOVCCPUNISDL-UHFFFAOYSA-N
MW311.72 g/mol
LogP4.28
Rot. Bonds5

About N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide

N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide (PubChem CID 114298284) has the molecular formula C15H12ClF2NO2 and a molecular weight of 311.72 g/mol. Its IUPAC name is N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide
PubChem CID114298284
Molecular FormulaC15H12ClF2NO2
Molecular Weight311.72 g/mol
Exact Mass311.05
IUPAC NameN-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide
SMILESO=C(Nc1ccccc1CCl)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H12ClF2NO2/c16-9-11-4-1-2-7-13(11)19-14(20)10-5-3-6-12(8-10)21-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyVLZOVCCPUNISDL-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(chloromethyl)phenyl]-3-methylbenzamide
CID 113271945
N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide
CID 114298485
3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
CID 24514517
N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide
CID 114298463
N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide
CID 103766634
N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide
CID 934563
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
N-(5-chloropentyl)-3-(difluoromethoxy)benzamide
CID 107321329
3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 7925660
4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide
CID 56785873
3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide
CID 43695560
N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide
CID 2067465

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide?
The IUPAC name of N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide (CID 114298284) is N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide is O=C(Nc1ccccc1CCl)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide?
The InChIKey is VLZOVCCPUNISDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO2/c16-9-11-4-1-2-7-13(11)19-14(20)10-5-3-6-12(8-10)21-15(17)18/h1-8,15H,9H2,(H,19,20).
What are the key properties of N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide?
N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide has a molecular weight of 311.72 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 114298284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).