3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide

C14H17ClN2O2 — CID 113127011

IUPAC3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(C(C)=O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-3-9-16-14(19)8-10-17(11(2)18)13-7-5-4-6-12(13)15/h3-7H,1,8-10H2,2H3,(H,16,19)
InChIKeyWUAIVYKJKLJOEH-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.39
Rot. Bonds6

About 3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide

3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide (PubChem CID 113127011) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide
PubChem CID113127011
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(C(C)=O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-3-9-16-14(19)8-10-17(11(2)18)13-7-5-4-6-12(13)15/h3-7H,1,8-10H2,2H3,(H,16,19)
InChIKeyWUAIVYKJKLJOEH-UHFFFAOYSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.39
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-prop-2-enylpropanamide 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-2-ethylanilino)-N-prop-2-enylpropanamide
CID 113125155
2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide
CID 113180076
2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide
CID 113171662
3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113127020
3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide
CID 113127100
3-(N-acetyl-4-bromo-2-methylanilino)-N-prop-2-enylpropanamide
CID 113132727
3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide
CID 113134286
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113133973
3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130062
3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113127103
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 113130514
3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide
CID 113134341

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide (CID 113127011) is 3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide is C=CCNC(=O)CCN(C(C)=O)c1ccccc1Cl.
What is the InChIKey of 3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide?
The InChIKey is WUAIVYKJKLJOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-3-9-16-14(19)8-10-17(11(2)18)13-7-5-4-6-12(13)15/h3-7H,1,8-10H2,2H3,(H,16,19).
What are the key properties of 3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide?
3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide has a molecular weight of 280.76 g/mol, XLogP of 2.39, 6 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-prop-2-enylpropanamide is sourced from PubChem (CID 113127011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).