2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide

C18H18Cl2N2O3 — CID 38794518

IUPAC2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O3/c1-3-22(18(24)13-9-8-12(19)10-14(13)20)11-17(23)21-15-6-4-5-7-16(15)25-2/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKeyLLQLKCDNNSXICS-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.10
Rot. Bonds6

About 2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide

2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide (PubChem CID 38794518) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
PubChem CID38794518
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O3/c1-3-22(18(24)13-9-8-12(19)10-14(13)20)11-17(23)21-15-6-4-5-7-16(15)25-2/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKeyLLQLKCDNNSXICS-UHFFFAOYSA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide (CID 38794518) is 2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide is CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide?
The InChIKey is LLQLKCDNNSXICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-3-22(18(24)13-9-8-12(19)10-14(13)20)11-17(23)21-15-6-4-5-7-16(15)25-2/h4-10H,3,11H2,1-2H3,(H,21,23).
What are the key properties of 2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide?
2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide has a molecular weight of 381.26 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 38794518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).