N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide

C17H18ClNO3 — CID 110787720

IUPACN-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C17H18ClNO3/c1-21-15-6-3-12(4-7-15)17(20)19-10-9-13-11-14(18)5-8-16(13)22-2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyFSBWIJLNILLNAZ-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.33
Rot. Bonds6

About N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide

N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide (PubChem CID 110787720) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
PubChem CID110787720
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C17H18ClNO3/c1-21-15-6-3-12(4-7-15)17(20)19-10-9-13-11-14(18)5-8-16(13)22-2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyFSBWIJLNILLNAZ-UHFFFAOYSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide
CID 110795201
2-(5-chloro-2-methoxyphenyl)ethylcarbamic acid
CID 115171089
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide
CID 110788169
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
4-methoxy-N-[2-[[N-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111388789
2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide
CID 68506489
2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935879
4-tert-butyl-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 110601136
N-[2-(5-chloro-2-methoxyphenyl)ethyl]pentanamide
CID 110787710
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326133
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide
CID 55878941

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide (CID 110787720) is N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCc2cc(Cl)ccc2OC)cc1.
What is the InChIKey of N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide?
The InChIKey is FSBWIJLNILLNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-21-15-6-3-12(4-7-15)17(20)19-10-9-13-11-14(18)5-8-16(13)22-2/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide?
N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide has a molecular weight of 319.79 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 110787720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).