3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide

C21H26ClNO5 — CID 9102560

IUPAC3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccc(OCC)c(OC)c2)cc1OCC
InChIInChI=1S/C21H26ClNO5/c1-5-10-28-20-16(22)11-14(12-19(20)27-7-3)21(24)23-15-8-9-17(26-6-2)18(13-15)25-4/h8-9,11-13H,5-7,10H2,1-4H3,(H,23,24)
InChIKeyGJMRQEDPCTVXGQ-UHFFFAOYSA-N
MW407.89 g/mol
LogP5.19
Rot. Bonds10

About 3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide

3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide (PubChem CID 9102560) has the molecular formula C21H26ClNO5 and a molecular weight of 407.89 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide
PubChem CID9102560
Molecular FormulaC21H26ClNO5
Molecular Weight407.89 g/mol
Exact Mass407.15
IUPAC Name3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccc(OCC)c(OC)c2)cc1OCC
InChIInChI=1S/C21H26ClNO5/c1-5-10-28-20-16(22)11-14(12-19(20)27-7-3)21(24)23-15-8-9-17(26-6-2)18(13-15)25-4/h8-9,11-13H,5-7,10H2,1-4H3,(H,23,24)
InChIKeyGJMRQEDPCTVXGQ-UHFFFAOYSA-N
XLogP5.19
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.89
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26694948
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
S-[4-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56529828
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
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
CID 9096742

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide (CID 9102560) is 3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2ccc(OCC)c(OC)c2)cc1OCC.
What is the InChIKey of 3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide?
The InChIKey is GJMRQEDPCTVXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO5/c1-5-10-28-20-16(22)11-14(12-19(20)27-7-3)21(24)23-15-8-9-17(26-6-2)18(13-15)25-4/h8-9,11-13H,5-7,10H2,1-4H3,(H,23,24).
What are the key properties of 3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide?
3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide has a molecular weight of 407.89 g/mol, XLogP of 5.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide is sourced from PubChem (CID 9102560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).