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

C20H24ClNO5 — CID 26694948

IUPAC3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C20H24ClNO5/c1-5-9-27-19-15(21)10-13(11-18(19)26-6-2)20(23)22-14-7-8-16(24-3)17(12-14)25-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,22,23)
InChIKeyGADVTJCXIRKCSQ-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.80
Rot. Bonds9

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

3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide (PubChem CID 26694948) has the molecular formula C20H24ClNO5 and a molecular weight of 393.87 g/mol. Its IUPAC name is 3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
PubChem CID26694948
Molecular FormulaC20H24ClNO5
Molecular Weight393.87 g/mol
Exact Mass393.13
IUPAC Name3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C20H24ClNO5/c1-5-9-27-19-15(21)10-13(11-18(19)26-6-2)20(23)22-14-7-8-16(24-3)17(12-14)25-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,22,23)
InChIKeyGADVTJCXIRKCSQ-UHFFFAOYSA-N
XLogP4.80
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.80
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-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
CID 3610784
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078
N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 33309669
4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
CID 55948208
3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide
CID 38024353
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26877166
N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 2521191
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
CID 9096742
S-[4-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56529828

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide?
The IUPAC name of 3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide (CID 26694948) is 3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide?
The canonical SMILES for 3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)c(OC)c2)cc1OCC.
What is the InChIKey of 3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide?
The InChIKey is GADVTJCXIRKCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO5/c1-5-9-27-19-15(21)10-13(11-18(19)26-6-2)20(23)22-14-7-8-16(24-3)17(12-14)25-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,22,23).
What are the key properties of 3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide?
3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide has a molecular weight of 393.87 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 26694948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).