3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide

C20H23Cl2NO5 — CID 26877166

IUPAC3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1OCC
InChIInChI=1S/C20H23Cl2NO5/c1-5-7-28-19-14(22)8-12(9-18(19)27-6-2)20(24)23-15-10-13(21)16(25-3)11-17(15)26-4/h8-11H,5-7H2,1-4H3,(H,23,24)
InChIKeyBBHOKHDVKKTZOZ-UHFFFAOYSA-N
MW428.31 g/mol
LogP5.45
Rot. Bonds9

About 3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide

3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide (PubChem CID 26877166) has the molecular formula C20H23Cl2NO5 and a molecular weight of 428.31 g/mol. Its IUPAC name is 3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
PubChem CID26877166
Molecular FormulaC20H23Cl2NO5
Molecular Weight428.31 g/mol
Exact Mass427.10
IUPAC Name3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1OCC
InChIInChI=1S/C20H23Cl2NO5/c1-5-7-28-19-14(22)8-12(9-18(19)27-6-2)20(24)23-15-10-13(21)16(25-3)11-17(15)26-4/h8-11H,5-7H2,1-4H3,(H,23,24)
InChIKeyBBHOKHDVKKTZOZ-UHFFFAOYSA-N
XLogP5.45
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.31
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide
CID 42057269
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
CID 3610784
N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 33309669
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078
3-chloro-N-(4-chloro-2-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 26114663
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
CID 9096742
3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 9246200
N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 120568311
4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
CID 55948208

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide?
The IUPAC name of 3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide (CID 26877166) is 3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide?
The canonical SMILES for 3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1OCC.
What is the InChIKey of 3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide?
The InChIKey is BBHOKHDVKKTZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO5/c1-5-7-28-19-14(22)8-12(9-18(19)27-6-2)20(24)23-15-10-13(21)16(25-3)11-17(15)26-4/h8-11H,5-7H2,1-4H3,(H,23,24).
What are the key properties of 3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide?
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide has a molecular weight of 428.31 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 26877166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).