3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide

C21H26ClNO4 — CID 60526368

IUPAC3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)N(C)Cc2ccccc2OCC)cc1OC
InChIInChI=1S/C21H26ClNO4/c1-5-11-27-20-17(22)12-16(13-19(20)25-4)21(24)23(3)14-15-9-7-8-10-18(15)26-6-2/h7-10,12-13H,5-6,11,14H2,1-4H3
InChIKeyZPDXPIWHTRWVAN-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.81
Rot. Bonds9

About 3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide

3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide (PubChem CID 60526368) has the molecular formula C21H26ClNO4 and a molecular weight of 391.90 g/mol. Its IUPAC name is 3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
PubChem CID60526368
Molecular FormulaC21H26ClNO4
Molecular Weight391.90 g/mol
Exact Mass391.16
IUPAC Name3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)N(C)Cc2ccccc2OCC)cc1OC
InChIInChI=1S/C21H26ClNO4/c1-5-11-27-20-17(22)12-16(13-19(20)25-4)21(24)23(3)14-15-9-7-8-10-18(15)26-6-2/h7-10,12-13H,5-6,11,14H2,1-4H3
InChIKeyZPDXPIWHTRWVAN-UHFFFAOYSA-N
XLogP4.81
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 112790252
3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 112792591
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 9246200
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55549890
N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-5-ethoxy-N-methyl-4-propoxybenzamide
CID 31798676
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354
3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide
CID 26972977
3-chloro-4-ethoxy-5-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26619232
4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 17412285
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide
CID 112798057

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide?
The IUPAC name of 3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide (CID 60526368) is 3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide?
The canonical SMILES for 3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)N(C)Cc2ccccc2OCC)cc1OC.
What is the InChIKey of 3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide?
The InChIKey is ZPDXPIWHTRWVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO4/c1-5-11-27-20-17(22)12-16(13-19(20)25-4)21(24)23(3)14-15-9-7-8-10-18(15)26-6-2/h7-10,12-13H,5-6,11,14H2,1-4H3.
What are the key properties of 3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide?
3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide has a molecular weight of 391.90 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide is sourced from PubChem (CID 60526368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).