N-[2-(4-chlorophenyl)ethyl]-3-(difluoromethoxy)benzamide

C16H14ClF2NO2 — CID 7688723

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(difluoromethoxy)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H14ClF2NO2/c17-13-6-4-11(5-7-13)8-9-20-15(21)12-2-1-3-14(10-12)22-16(18)19/h1-7,10,16H,8-9H2,(H,20,21)
InChIKeyOIMKIRVUYOQRRU-UHFFFAOYSA-N
MW325.74 g/mol
LogP3.91
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-3-(difluoromethoxy)benzamide

N-[2-(4-chlorophenyl)ethyl]-3-(difluoromethoxy)benzamide (PubChem CID 7688723) has the molecular formula C16H14ClF2NO2 and a molecular weight of 325.74 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(difluoromethoxy)benzamide
PubChem CID7688723
Molecular FormulaC16H14ClF2NO2
Molecular Weight325.74 g/mol
Exact Mass325.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(difluoromethoxy)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H14ClF2NO2/c17-13-6-4-11(5-7-13)8-9-20-15(21)12-2-1-3-14(10-12)22-16(18)19/h1-7,10,16H,8-9H2,(H,20,21)
InChIKeyOIMKIRVUYOQRRU-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chlorophenyl)ethyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(difluoromethoxy)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(difluoromethoxy)benzamide (CID 7688723) is N-[2-(4-chlorophenyl)ethyl]-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(difluoromethoxy)benzamide is O=C(NCCc1ccc(Cl)cc1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(difluoromethoxy)benzamide?
The InChIKey is OIMKIRVUYOQRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO2/c17-13-6-4-11(5-7-13)8-9-20-15(21)12-2-1-3-14(10-12)22-16(18)19/h1-7,10,16H,8-9H2,(H,20,21).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(difluoromethoxy)benzamide?
N-[2-(4-chlorophenyl)ethyl]-3-(difluoromethoxy)benzamide has a molecular weight of 325.74 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 7688723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).