N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide

C13H17ClN2O2 — CID 113059707

IUPACN-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
SMILESCC(=O)NCCN(C(C)=O)c1cccc(Cl)c1C
InChIInChI=1S/C13H17ClN2O2/c1-9-12(14)5-4-6-13(9)16(11(3)18)8-7-15-10(2)17/h4-6H,7-8H2,1-3H3,(H,15,17)
InChIKeyKKOPTDHQHCHRRK-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.14
Rot. Bonds4

About N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide

N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide (PubChem CID 113059707) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
PubChem CID113059707
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
SMILESCC(=O)NCCN(C(C)=O)c1cccc(Cl)c1C
InChIInChI=1S/C13H17ClN2O2/c1-9-12(14)5-4-6-13(9)16(11(3)18)8-7-15-10(2)17/h4-6H,7-8H2,1-3H3,(H,15,17)
InChIKeyKKOPTDHQHCHRRK-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide
CID 113063828
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide
CID 113059716
N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113059769
tert-butyl N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]carbamate
CID 113059766
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide
CID 113059742
N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113059773
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide
CID 113059745
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide
CID 113063841
2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide
CID 113171662
2-(N-acetyl-3-chloro-2-methylanilino)-N-butylacetamide
CID 113171663
N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113059789
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113127582

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide?
The IUPAC name of N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide (CID 113059707) is N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide is CC(=O)NCCN(C(C)=O)c1cccc(Cl)c1C.
What is the InChIKey of N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide?
The InChIKey is KKOPTDHQHCHRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9-12(14)5-4-6-13(9)16(11(3)18)8-7-15-10(2)17/h4-6H,7-8H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide?
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide has a molecular weight of 268.74 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide is sourced from PubChem (CID 113059707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).