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

C19H22ClNO5 — CID 9096742

IUPAC3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2cc(OC)cc(OC)c2)cc1OC
InChIInChI=1S/C19H22ClNO5/c1-5-6-26-18-16(20)7-12(8-17(18)25-4)19(22)21-13-9-14(23-2)11-15(10-13)24-3/h7-11H,5-6H2,1-4H3,(H,21,22)
InChIKeyRMPDIKXRJJRFRH-UHFFFAOYSA-N
MW379.84 g/mol
LogP4.41
Rot. Bonds8

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

3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide (PubChem CID 9096742) has the molecular formula C19H22ClNO5 and a molecular weight of 379.84 g/mol. Its IUPAC name is 3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
PubChem CID9096742
Molecular FormulaC19H22ClNO5
Molecular Weight379.84 g/mol
Exact Mass379.12
IUPAC Name3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2cc(OC)cc(OC)c2)cc1OC
InChIInChI=1S/C19H22ClNO5/c1-5-6-26-18-16(20)7-12(8-17(18)25-4)19(22)21-13-9-14(23-2)11-15(10-13)24-3/h7-11H,5-6H2,1-4H3,(H,21,22)
InChIKeyRMPDIKXRJJRFRH-UHFFFAOYSA-N
XLogP4.41
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
CID 3610784
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
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-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
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-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 124506712
4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide
CID 18266478
4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide
CID 7969022
3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide
CID 86797117
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
CID 78856166

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide?
The IUPAC name of 3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide (CID 9096742) is 3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide?
The canonical SMILES for 3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2cc(OC)cc(OC)c2)cc1OC.
What is the InChIKey of 3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide?
The InChIKey is RMPDIKXRJJRFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO5/c1-5-6-26-18-16(20)7-12(8-17(18)25-4)19(22)21-13-9-14(23-2)11-15(10-13)24-3/h7-11H,5-6H2,1-4H3,(H,21,22).
What are the key properties of 3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide?
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide has a molecular weight of 379.84 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 9096742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).