N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclohexanecarboxamide

C18H25ClN2O2 — CID 4879867

IUPACN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclohexanecarboxamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C1CCCCC1
InChIInChI=1S/C18H25ClN2O2/c1-3-21(18(23)14-7-5-4-6-8-14)12-17(22)20-16-11-15(19)10-9-13(16)2/h9-11,14H,3-8,12H2,1-2H3,(H,20,22)
InChIKeyGSPQONSOLDPYMH-UHFFFAOYSA-N
MW336.86 g/mol
LogP4.02
Rot. Bonds5

About N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclohexanecarboxamide

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclohexanecarboxamide (PubChem CID 4879867) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclohexanecarboxamide
PubChem CID4879867
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclohexanecarboxamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C1CCCCC1
InChIInChI=1S/C18H25ClN2O2/c1-3-21(18(23)14-7-5-4-6-8-14)12-17(22)20-16-11-15(19)10-9-13(16)2/h9-11,14H,3-8,12H2,1-2H3,(H,20,22)
InChIKeyGSPQONSOLDPYMH-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclohexanecarboxamide?
The IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclohexanecarboxamide (CID 4879867) is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclohexanecarboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclohexanecarboxamide?
The canonical SMILES for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclohexanecarboxamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C1CCCCC1.
What is the InChIKey of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclohexanecarboxamide?
The InChIKey is GSPQONSOLDPYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-3-21(18(23)14-7-5-4-6-8-14)12-17(22)20-16-11-15(19)10-9-13(16)2/h9-11,14H,3-8,12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclohexanecarboxamide?
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclohexanecarboxamide has a molecular weight of 336.86 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclohexanecarboxamide is sourced from PubChem (CID 4879867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).