ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate

C14H19ClN2O3 — CID 113059937

IUPACethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate
SMILESCCOC(=O)NCCN(C(C)=O)c1ccc(Cl)cc1C
InChIInChI=1S/C14H19ClN2O3/c1-4-20-14(19)16-7-8-17(11(3)18)13-6-5-12(15)9-10(13)2/h5-6,9H,4,7-8H2,1-3H3,(H,16,19)
InChIKeyMAPFTSBMHRSSGD-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.75
Rot. Bonds5

About ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate

ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate (PubChem CID 113059937) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate
PubChem CID113059937
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Nameethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate
SMILESCCOC(=O)NCCN(C(C)=O)c1ccc(Cl)cc1C
InChIInChI=1S/C14H19ClN2O3/c1-4-20-14(19)16-7-8-17(11(3)18)13-6-5-12(15)9-10(13)2/h5-6,9H,4,7-8H2,1-3H3,(H,16,19)
InChIKeyMAPFTSBMHRSSGD-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate 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

ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate
CID 113060315
ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate
CID 113057346
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113059902
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113059896
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059891
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127820
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide
CID 113059796
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide
CID 113059887
3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide
CID 113127871
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113127886
2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide
CID 113172064

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate (CID 113059937) is ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate is CCOC(=O)NCCN(C(C)=O)c1ccc(Cl)cc1C.
What is the InChIKey of ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate?
The InChIKey is MAPFTSBMHRSSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-4-20-14(19)16-7-8-17(11(3)18)13-6-5-12(15)9-10(13)2/h5-6,9H,4,7-8H2,1-3H3,(H,16,19).
What are the key properties of ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate?
ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate has a molecular weight of 298.77 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate is sourced from PubChem (CID 113059937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).