N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide

C14H18Cl2N2O — CID 115755804

IUPACN-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide
SMILESCCN(C(=O)CNc1cc(Cl)c(C)cc1Cl)C1CC1
InChIInChI=1S/C14H18Cl2N2O/c1-3-18(10-4-5-10)14(19)8-17-13-7-11(15)9(2)6-12(13)16/h6-7,10,17H,3-5,8H2,1-2H3
InChIKeyGDSIGIPMLWAHBW-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.72
Rot. Bonds5

About N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide

N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide (PubChem CID 115755804) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide
PubChem CID115755804
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC NameN-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide
SMILESCCN(C(=O)CNc1cc(Cl)c(C)cc1Cl)C1CC1
InChIInChI=1S/C14H18Cl2N2O/c1-3-18(10-4-5-10)14(19)8-17-13-7-11(15)9(2)6-12(13)16/h6-7,10,17H,3-5,8H2,1-2H3
InChIKeyGDSIGIPMLWAHBW-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide 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-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide?
The IUPAC name of N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide (CID 115755804) is N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide?
The canonical SMILES for N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide is CCN(C(=O)CNc1cc(Cl)c(C)cc1Cl)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide?
The InChIKey is GDSIGIPMLWAHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-3-18(10-4-5-10)14(19)8-17-13-7-11(15)9(2)6-12(13)16/h6-7,10,17H,3-5,8H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide?
N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide has a molecular weight of 301.22 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide is sourced from PubChem (CID 115755804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).