3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide

C18H20ClNO3 — CID 111115447

IUPAC3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(C(O)CNC(=O)CCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNO3/c1-23-16-4-2-3-14(11-16)17(21)12-20-18(22)10-7-13-5-8-15(19)9-6-13/h2-6,8-9,11,17,21H,7,10,12H2,1H3,(H,20,22)
InChIKeyLBMZGZVKPQAHHA-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.13
Rot. Bonds7

About 3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide

3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 111115447) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
PubChem CID111115447
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(C(O)CNC(=O)CCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNO3/c1-23-16-4-2-3-14(11-16)17(21)12-20-18(22)10-7-13-5-8-15(19)9-6-13/h2-6,8-9,11,17,21H,7,10,12H2,1H3,(H,20,22)
InChIKeyLBMZGZVKPQAHHA-UHFFFAOYSA-N
XLogP3.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 110663372
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(2-methylphenyl)propanamide
CID 110663371
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 90623282
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
CID 111437211
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 119765490
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 111115615
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-ethylphenyl)propanamide
CID 43044979
3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 109478503
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 111115545

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide (CID 111115447) is 3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide is COc1cccc(C(O)CNC(=O)CCc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is LBMZGZVKPQAHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-23-16-4-2-3-14(11-16)17(21)12-20-18(22)10-7-13-5-8-15(19)9-6-13/h2-6,8-9,11,17,21H,7,10,12H2,1H3,(H,20,22).
What are the key properties of 3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide?
3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 333.82 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 111115447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).