3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide

C18H18ClNO3 — CID 67002277

IUPAC3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCO)cc1C=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3/c1-23-17-9-6-15(18(22)20-10-11-21)12-14(17)5-2-13-3-7-16(19)8-4-13/h2-9,12,21H,10-11H2,1H3,(H,20,22)
InChIKeyYELBKUGZVHTKIS-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.24
Rot. Bonds6

About 3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide

3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide (PubChem CID 67002277) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide
PubChem CID67002277
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCO)cc1C=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3/c1-23-17-9-6-15(18(22)20-10-11-21)12-14(17)5-2-13-3-7-16(19)8-4-13/h2-9,12,21H,10-11H2,1H3,(H,20,22)
InChIKeyYELBKUGZVHTKIS-UHFFFAOYSA-N
XLogP3.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide
CID 23141516
4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 129196340
[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid
CID 142797913
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide
CID 23141454
3-[2-methoxy-5-(3-methylsulfanylpropylcarbamoyl)phenyl]prop-2-enoic acid
CID 76996666
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide
CID 23141385
3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002282
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide
CID 110291508
N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 46489928
4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide
CID 104782528

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide?
The IUPAC name of 3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide (CID 67002277) is 3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide is COc1ccc(C(=O)NCCO)cc1C=Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide?
The InChIKey is YELBKUGZVHTKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-23-17-9-6-15(18(22)20-10-11-21)12-14(17)5-2-13-3-7-16(19)8-4-13/h2-9,12,21H,10-11H2,1H3,(H,20,22).
What are the key properties of 3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide?
3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide has a molecular weight of 331.80 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide is sourced from PubChem (CID 67002277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).