3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

C19H25ClN2O2 — CID 113127020

IUPAC3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCC1=CCCCC1)c1ccccc1Cl
InChIInChI=1S/C19H25ClN2O2/c1-15(23)22(18-10-6-5-9-17(18)20)14-12-19(24)21-13-11-16-7-3-2-4-8-16/h5-7,9-10H,2-4,8,11-14H2,1H3,(H,21,24)
InChIKeyPSRBRKKHGWMIHZ-UHFFFAOYSA-N
MW348.87 g/mol
LogP4.09
Rot. Bonds7

About 3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 113127020) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
PubChem CID113127020
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCC1=CCCCC1)c1ccccc1Cl
InChIInChI=1S/C19H25ClN2O2/c1-15(23)22(18-10-6-5-9-17(18)20)14-12-19(24)21-13-11-16-7-3-2-4-8-16/h5-7,9-10H,2-4,8,11-14H2,1H3,(H,21,24)
InChIKeyPSRBRKKHGWMIHZ-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide 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

3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113134059
3-(N-acetyl-2,6-difluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113135335
3-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113129538
3-(N-acetyl-3-fluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113132345
2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113169023
3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide
CID 113127011
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113120157
N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide
CID 109014714
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113053069
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 113116856

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 113127020) is 3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is CC(=O)N(CCC(=O)NCCC1=CCCCC1)c1ccccc1Cl.
What is the InChIKey of 3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The InChIKey is PSRBRKKHGWMIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-15(23)22(18-10-6-5-9-17(18)20)14-12-19(24)21-13-11-16-7-3-2-4-8-16/h5-7,9-10H,2-4,8,11-14H2,1H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide has a molecular weight of 348.87 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 113127020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).