N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide

C20H24ClNO4 — CID 26198599

IUPACN-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H24ClNO4/c1-6-12-8-9-15(21)14(7-2)18(12)22-20(23)13-10-16(24-3)19(26-5)17(11-13)25-4/h8-11H,6-7H2,1-5H3,(H,22,23)
InChIKeyQNUNUJUCEFOVPA-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.74
Rot. Bonds7

About N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide

N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide (PubChem CID 26198599) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide
PubChem CID26198599
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H24ClNO4/c1-6-12-8-9-15(21)14(7-2)18(12)22-20(23)13-10-16(24-3)19(26-5)17(11-13)25-4/h8-11H,6-7H2,1-5H3,(H,22,23)
InChIKeyQNUNUJUCEFOVPA-UHFFFAOYSA-N
XLogP4.74
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26198613
2-(4-acetyl-2-methoxyphenoxy)-N-(3-chloro-2,6-diethylphenyl)acetamide
CID 4800556
(E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 8920524
N-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26198372
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
CID 51944969
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112996998
ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate
CID 28631326
4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide
CID 18288959
3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 960097
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-(3-chloro-2,6-diethylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26198625

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide (CID 26198599) is N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide is CCc1ccc(Cl)c(CC)c1NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is QNUNUJUCEFOVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-6-12-8-9-15(21)14(7-2)18(12)22-20(23)13-10-16(24-3)19(26-5)17(11-13)25-4/h8-11H,6-7H2,1-5H3,(H,22,23).
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide?
N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 377.87 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 26198599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).