2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-phenylbenzamide

C22H19ClN2O3 — CID 1260112

IUPAC2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
SMILESCc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C22H19ClN2O3/c1-15-11-12-17(13-19(15)23)24-21(26)14-28-20-10-6-5-9-18(20)22(27)25-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyBSCHXDSDZVMCOJ-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.92
Rot. Bonds6

About 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-phenylbenzamide

2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 1260112) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
PubChem CID1260112
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
SMILESCc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C22H19ClN2O3/c1-15-11-12-17(13-19(15)23)24-21(26)14-28-20-10-6-5-9-18(20)22(27)25-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyBSCHXDSDZVMCOJ-UHFFFAOYSA-N
XLogP4.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-phenylbenzamide 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 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-phenylbenzamide (CID 1260112) is 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-phenylbenzamide is Cc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1Cl.
What is the InChIKey of 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is BSCHXDSDZVMCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-15-11-12-17(13-19(15)23)24-21(26)14-28-20-10-6-5-9-18(20)22(27)25-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-phenylbenzamide?
2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 394.86 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 1260112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).