3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide

C20H22ClNO4 — CID 23141516

IUPAC3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCOCCO)cc1/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClNO4/c1-25-19-9-6-17(20(24)22-10-12-26-13-11-23)14-16(19)5-2-15-3-7-18(21)8-4-15/h2-9,14,23H,10-13H2,1H3,(H,22,24)/b5-2+
InChIKeyCWLJMTQFSNCNRL-GORDUTHDSA-N
MW375.85 g/mol
LogP3.26
Rot. Bonds9

About 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide

3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide (PubChem CID 23141516) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide
PubChem CID23141516
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCOCCO)cc1/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClNO4/c1-25-19-9-6-17(20(24)22-10-12-26-13-11-23)14-16(19)5-2-15-3-7-18(21)8-4-15/h2-9,14,23H,10-13H2,1H3,(H,22,24)/b5-2+
InChIKeyCWLJMTQFSNCNRL-GORDUTHDSA-N
XLogP3.26
TPSA67.79 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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 67002277
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
CID 81284195
4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 62498440
1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108875526
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzamide
CID 81471797
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-(2,4-dihydroxybutyl)-4-methoxy-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide
CID 23141398
N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 103857015
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 55083724
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide
CID 114297830
4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045180
2-(3-fluoro-4-methoxyphenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60682387

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide?
The IUPAC name of 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide (CID 23141516) is 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCOCCO)cc1/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide?
The InChIKey is CWLJMTQFSNCNRL-GORDUTHDSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-25-19-9-6-17(20(24)22-10-12-26-13-11-23)14-16(19)5-2-15-3-7-18(21)8-4-15/h2-9,14,23H,10-13H2,1H3,(H,22,24)/b5-2+.
What are the key properties of 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide?
3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide has a molecular weight of 375.85 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 23141516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).