N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,2-diphenylacetamide

C23H22ClNO2 — CID 2295762

IUPACN-[2-(4-chloro-2-methylphenoxy)ethyl]-2,2-diphenylacetamide
SMILESCc1cc(Cl)ccc1OCCNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22ClNO2/c1-17-16-20(24)12-13-21(17)27-15-14-25-23(26)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,22H,14-15H2,1H3,(H,25,26)
InChIKeyWSSSGBOFKBSTCQ-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.98
Rot. Bonds7

About N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,2-diphenylacetamide

N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,2-diphenylacetamide (PubChem CID 2295762) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methylphenoxy)ethyl]-2,2-diphenylacetamide
PubChem CID2295762
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC NameN-[2-(4-chloro-2-methylphenoxy)ethyl]-2,2-diphenylacetamide
SMILESCc1cc(Cl)ccc1OCCNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22ClNO2/c1-17-16-20(24)12-13-21(17)27-15-14-25-23(26)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,22H,14-15H2,1H3,(H,25,26)
InChIKeyWSSSGBOFKBSTCQ-UHFFFAOYSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,2-diphenylacetamide 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-chloro-2-methylphenoxy)ethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,2-diphenylacetamide (CID 2295762) is N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,2-diphenylacetamide is Cc1cc(Cl)ccc1OCCNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,2-diphenylacetamide?
The InChIKey is WSSSGBOFKBSTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO2/c1-17-16-20(24)12-13-21(17)27-15-14-25-23(26)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,22H,14-15H2,1H3,(H,25,26).
What are the key properties of N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,2-diphenylacetamide?
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,2-diphenylacetamide has a molecular weight of 379.89 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 2295762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).