3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide

C21H26ClNO6 — CID 55709358

IUPAC3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)NC(C)c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H26ClNO6/c1-7-29-19-15(22)8-14(11-16(19)25-3)21(24)23-12(2)13-9-17(26-4)20(28-6)18(10-13)27-5/h8-12H,7H2,1-6H3,(H,23,24)
InChIKeyLWJPAYBFMZTGAZ-UHFFFAOYSA-N
MW423.89 g/mol
LogP4.26
Rot. Bonds9

About 3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide

3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide (PubChem CID 55709358) has the molecular formula C21H26ClNO6 and a molecular weight of 423.89 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
PubChem CID55709358
Molecular FormulaC21H26ClNO6
Molecular Weight423.89 g/mol
Exact Mass423.14
IUPAC Name3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)NC(C)c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H26ClNO6/c1-7-29-19-15(22)8-14(11-16(19)25-3)21(24)23-12(2)13-9-17(26-4)20(28-6)18(10-13)27-5/h8-12H,7H2,1-6H3,(H,23,24)
InChIKeyLWJPAYBFMZTGAZ-UHFFFAOYSA-N
XLogP4.26
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.89
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide
CID 43010464
3-chloro-4-ethoxy-5-methoxy-N-(1-pyridin-2-ylethyl)benzamide
CID 43007006
N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide
CID 93041589
3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 86978352
N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17326429
3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide
CID 43419055
N-[1-(3-bromophenyl)ethyl]-3-chloro-4,5-dimethoxybenzamide
CID 43059210
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide
CID 51323720
3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide
CID 71848078
ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate
CID 95782335

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide (CID 55709358) is 3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide is CCOc1c(Cl)cc(C(=O)NC(C)c2cc(OC)c(OC)c(OC)c2)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The InChIKey is LWJPAYBFMZTGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO6/c1-7-29-19-15(22)8-14(11-16(19)25-3)21(24)23-12(2)13-9-17(26-4)20(28-6)18(10-13)27-5/h8-12H,7H2,1-6H3,(H,23,24).
What are the key properties of 3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide has a molecular weight of 423.89 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 55709358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).