3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide

C20H24ClNO4 — CID 9246200

IUPAC3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCc2ccccc2OC)cc1OCC
InChIInChI=1S/C20H24ClNO4/c1-4-10-26-19-16(21)11-15(12-18(19)25-5-2)20(23)22-13-14-8-6-7-9-17(14)24-3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,22,23)
InChIKeyAROYQJUFIKOYRC-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.47
Rot. Bonds9

About 3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide

3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide (PubChem CID 9246200) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
PubChem CID9246200
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC Name3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCc2ccccc2OC)cc1OCC
InChIInChI=1S/C20H24ClNO4/c1-4-10-26-19-16(21)11-15(12-18(19)25-5-2)20(23)22-13-14-8-6-7-9-17(14)24-3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,22,23)
InChIKeyAROYQJUFIKOYRC-UHFFFAOYSA-N
XLogP4.47
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
CID 7973201
3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 60526368
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
CID 3610784
3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide
CID 9102560
3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26694948
3-chloro-4-ethoxy-5-methoxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 41419081
N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide
CID 33094742
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26877166

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide (CID 9246200) is 3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NCc2ccccc2OC)cc1OCC.
What is the InChIKey of 3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide?
The InChIKey is AROYQJUFIKOYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-4-10-26-19-16(21)11-15(12-18(19)25-5-2)20(23)22-13-14-8-6-7-9-17(14)24-3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,22,23).
What are the key properties of 3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide?
3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide has a molecular weight of 377.87 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide is sourced from PubChem (CID 9246200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).