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

C19H22ClNO4 — CID 3610784

IUPAC3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2cccc(OC)c2)cc1OCC
InChIInChI=1S/C19H22ClNO4/c1-4-9-25-18-16(20)10-13(11-17(18)24-5-2)19(22)21-14-7-6-8-15(12-14)23-3/h6-8,10-12H,4-5,9H2,1-3H3,(H,21,22)
InChIKeyGWMPAAGDQMTMBZ-UHFFFAOYSA-N
MW363.84 g/mol
LogP4.79
Rot. Bonds8

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

3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide (PubChem CID 3610784) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
PubChem CID3610784
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Name3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2cccc(OC)c2)cc1OCC
InChIInChI=1S/C19H22ClNO4/c1-4-9-25-18-16(20)10-13(11-17(18)24-5-2)19(22)21-14-7-6-8-15(12-14)23-3/h6-8,10-12H,4-5,9H2,1-3H3,(H,21,22)
InChIKeyGWMPAAGDQMTMBZ-UHFFFAOYSA-N
XLogP4.79
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide
CID 38024353
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-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3889618
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
CID 9096742
3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide
CID 18224809
3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide
CID 60557234
N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 110505995
3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide
CID 60585731
N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 2521191
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-(3-methoxyphenyl)-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide (CID 3610784) is 3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2cccc(OC)c2)cc1OCC.
What is the InChIKey of 3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide?
The InChIKey is GWMPAAGDQMTMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-4-9-25-18-16(20)10-13(11-17(18)24-5-2)19(22)21-14-7-6-8-15(12-14)23-3/h6-8,10-12H,4-5,9H2,1-3H3,(H,21,22).
What are the key properties of 3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide?
3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide has a molecular weight of 363.84 g/mol, XLogP of 4.79, 8 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-(3-methoxyphenyl)-4-propoxybenzamide is sourced from PubChem (CID 3610784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).