2-[bis(2-hydroxyethyl)amino]-N-(4-chlorophenyl)-2-phenylacetamide

C18H21ClN2O3 — CID 646941

IUPAC2-[bis(2-hydroxyethyl)amino]-N-(4-chlorophenyl)-2-phenylacetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(c1ccccc1)N(CCO)CCO
InChIInChI=1S/C18H21ClN2O3/c19-15-6-8-16(9-7-15)20-18(24)17(14-4-2-1-3-5-14)21(10-12-22)11-13-23/h1-9,17,22-23H,10-13H2,(H,20,24)
InChIKeyUWKZKLONMLKSDP-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.31
Rot. Bonds8

About 2-[bis(2-hydroxyethyl)amino]-N-(4-chlorophenyl)-2-phenylacetamide

2-[bis(2-hydroxyethyl)amino]-N-(4-chlorophenyl)-2-phenylacetamide (PubChem CID 646941) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-N-(4-chlorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-N-(4-chlorophenyl)-2-phenylacetamide
PubChem CID646941
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name2-[bis(2-hydroxyethyl)amino]-N-(4-chlorophenyl)-2-phenylacetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(c1ccccc1)N(CCO)CCO
InChIInChI=1S/C18H21ClN2O3/c19-15-6-8-16(9-7-15)20-18(24)17(14-4-2-1-3-5-14)21(10-12-22)11-13-23/h1-9,17,22-23H,10-13H2,(H,20,24)
InChIKeyUWKZKLONMLKSDP-UHFFFAOYSA-N
XLogP2.31
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[bis(2-hydroxyethyl)amino]-N-(4-chlorophenyl)-2-phenylacetamide 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-[bis(2-hydroxyethyl)amino]-N-(4-chlorophenyl)-2-phenylacetamide?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-(4-chlorophenyl)-2-phenylacetamide (CID 646941) is 2-[bis(2-hydroxyethyl)amino]-N-(4-chlorophenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-N-(4-chlorophenyl)-2-phenylacetamide?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-N-(4-chlorophenyl)-2-phenylacetamide is O=C(Nc1ccc(Cl)cc1)C(c1ccccc1)N(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-N-(4-chlorophenyl)-2-phenylacetamide?
The InChIKey is UWKZKLONMLKSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c19-15-6-8-16(9-7-15)20-18(24)17(14-4-2-1-3-5-14)21(10-12-22)11-13-23/h1-9,17,22-23H,10-13H2,(H,20,24).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-N-(4-chlorophenyl)-2-phenylacetamide?
2-[bis(2-hydroxyethyl)amino]-N-(4-chlorophenyl)-2-phenylacetamide has a molecular weight of 348.83 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-N-(4-chlorophenyl)-2-phenylacetamide is sourced from PubChem (CID 646941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).