3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(oxan-4-yl)propanamide

C21H24ClNO3 — CID 45227792

IUPAC3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(oxan-4-yl)propanamide
SMILESCN(C(=O)CC(c1cccc(O)c1)c1cccc(Cl)c1)C1CCOCC1
InChIInChI=1S/C21H24ClNO3/c1-23(18-8-10-26-11-9-18)21(25)14-20(15-4-2-6-17(22)12-15)16-5-3-7-19(24)13-16/h2-7,12-13,18,20,24H,8-11,14H2,1H3
InChIKeyPEFWNPHLYJJZPP-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.20
Rot. Bonds5

About 3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(oxan-4-yl)propanamide

3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(oxan-4-yl)propanamide (PubChem CID 45227792) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(oxan-4-yl)propanamide
PubChem CID45227792
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(oxan-4-yl)propanamide
SMILESCN(C(=O)CC(c1cccc(O)c1)c1cccc(Cl)c1)C1CCOCC1
InChIInChI=1S/C21H24ClNO3/c1-23(18-8-10-26-11-9-18)21(25)14-20(15-4-2-6-17(22)12-15)16-5-3-7-19(24)13-16/h2-7,12-13,18,20,24H,8-11,14H2,1H3
InChIKeyPEFWNPHLYJJZPP-UHFFFAOYSA-N
XLogP4.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(oxan-4-yl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(oxan-4-yl)propanamide (CID 45227792) is 3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(oxan-4-yl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(oxan-4-yl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(oxan-4-yl)propanamide is CN(C(=O)CC(c1cccc(O)c1)c1cccc(Cl)c1)C1CCOCC1.
What is the InChIKey of 3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(oxan-4-yl)propanamide?
The InChIKey is PEFWNPHLYJJZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3/c1-23(18-8-10-26-11-9-18)21(25)14-20(15-4-2-6-17(22)12-15)16-5-3-7-19(24)13-16/h2-7,12-13,18,20,24H,8-11,14H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(oxan-4-yl)propanamide?
3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(oxan-4-yl)propanamide has a molecular weight of 373.88 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 45227792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).