N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide

C20H22ClNO4 — CID 42959835

IUPACN-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NCC(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H22ClNO4/c1-2-26-17-8-6-14(7-9-17)18(23)10-11-20(25)22-13-19(24)15-4-3-5-16(21)12-15/h3-9,12,19,24H,2,10-11,13H2,1H3,(H,22,25)
InChIKeyLRUGQASKPIZIAR-UHFFFAOYSA-N
MW375.85 g/mol
LogP3.55
Rot. Bonds9

About N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide

N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide (PubChem CID 42959835) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
PubChem CID42959835
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC NameN-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NCC(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H22ClNO4/c1-2-26-17-8-6-14(7-9-17)18(23)10-11-20(25)22-13-19(24)15-4-3-5-16(21)12-15/h3-9,12,19,24H,2,10-11,13H2,1H3,(H,22,25)
InChIKeyLRUGQASKPIZIAR-UHFFFAOYSA-N
XLogP3.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623936
N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 119529476
4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide
CID 120828081
2-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]acetamide;hydrochloride
CID 119287112
3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide
CID 119719419
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097
4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide
CID 9224439
N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 9165977
2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide
CID 7910651
4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
CID 55328450
3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119719418

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide (CID 42959835) is N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)NCC(O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide?
The InChIKey is LRUGQASKPIZIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-2-26-17-8-6-14(7-9-17)18(23)10-11-20(25)22-13-19(24)15-4-3-5-16(21)12-15/h3-9,12,19,24H,2,10-11,13H2,1H3,(H,22,25).
What are the key properties of N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide?
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide has a molecular weight of 375.85 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 42959835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).