2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide

C20H21Cl2NO3 — CID 139008870

IUPAC2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide
SMILESO=C(NCC1(c2cccc(Cl)c2)CCOCC1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21Cl2NO3/c21-16-6-4-14(5-7-16)18(24)19(25)23-13-20(8-10-26-11-9-20)15-2-1-3-17(22)12-15/h1-7,12,18,24H,8-11,13H2,(H,23,25)
InChIKeyCQUYUKFWYXQLMO-UHFFFAOYSA-N
MW394.30 g/mol
LogP3.89
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide

2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide (PubChem CID 139008870) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide
PubChem CID139008870
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC Name2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide
SMILESO=C(NCC1(c2cccc(Cl)c2)CCOCC1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21Cl2NO3/c21-16-6-4-14(5-7-16)18(24)19(25)23-13-20(8-10-26-11-9-20)15-2-1-3-17(22)12-15/h1-7,12,18,24H,8-11,13H2,(H,23,25)
InChIKeyCQUYUKFWYXQLMO-UHFFFAOYSA-N
XLogP3.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide 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

(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
CID 94643933
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
(2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide
CID 94669671
2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide
CID 119749920
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide
CID 60575805
(E)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-phenylprop-2-enamide
CID 60576380
2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 133186777
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119749884
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide
CID 56581269
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 51091950
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide (CID 139008870) is 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide is O=C(NCC1(c2cccc(Cl)c2)CCOCC1)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide?
The InChIKey is CQUYUKFWYXQLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO3/c21-16-6-4-14(5-7-16)18(24)19(25)23-13-20(8-10-26-11-9-20)15-2-1-3-17(22)12-15/h1-7,12,18,24H,8-11,13H2,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide?
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide has a molecular weight of 394.30 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide is sourced from PubChem (CID 139008870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).