3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide

C19H20Cl2N2O3 — CID 9378681

IUPAC3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-4-12-7-5-6-8-16(12)22-17(24)11-23(2)19(25)13-9-14(20)18(26-3)15(21)10-13/h5-10H,4,11H2,1-3H3,(H,22,24)
InChIKeyDJNFPLPFKNWOCM-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.28
Rot. Bonds6

About 3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide

3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide (PubChem CID 9378681) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
PubChem CID9378681
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-4-12-7-5-6-8-16(12)22-17(24)11-23(2)19(25)13-9-14(20)18(26-3)15(21)10-13/h5-10H,4,11H2,1-3H3,(H,22,24)
InChIKeyDJNFPLPFKNWOCM-UHFFFAOYSA-N
XLogP4.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 9161434
3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide
CID 40730715
methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 55789119
N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 35678379
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676301
2-[[2-(3,4-dichlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2521635
3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 46472425
N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 17413852
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2665829
3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 51146977
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417026
2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2536523

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide (CID 9378681) is 3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide is CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(Cl)c(OC)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide?
The InChIKey is DJNFPLPFKNWOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-4-12-7-5-6-8-16(12)22-17(24)11-23(2)19(25)13-9-14(20)18(26-3)15(21)10-13/h5-10H,4,11H2,1-3H3,(H,22,24).
What are the key properties of 3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide?
3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide has a molecular weight of 395.29 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 9378681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).