2-[acetyl(prop-2-enyl)amino]-N-(3-chloro-2-methylphenyl)propanamide

C15H19ClN2O2 — CID 84571182

IUPAC2-[acetyl(prop-2-enyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
SMILESC=CCN(C(C)=O)C(C)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C15H19ClN2O2/c1-5-9-18(12(4)19)11(3)15(20)17-14-8-6-7-13(16)10(14)2/h5-8,11H,1,9H2,2-4H3,(H,17,20)
InChIKeyZQOQIBXXGMNLPD-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.01
Rot. Bonds5

About 2-[acetyl(prop-2-enyl)amino]-N-(3-chloro-2-methylphenyl)propanamide

2-[acetyl(prop-2-enyl)amino]-N-(3-chloro-2-methylphenyl)propanamide (PubChem CID 84571182) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-[acetyl(prop-2-enyl)amino]-N-(3-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[acetyl(prop-2-enyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
PubChem CID84571182
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-[acetyl(prop-2-enyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
SMILESC=CCN(C(C)=O)C(C)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C15H19ClN2O2/c1-5-9-18(12(4)19)11(3)15(20)17-14-8-6-7-13(16)10(14)2/h5-8,11H,1,9H2,2-4H3,(H,17,20)
InChIKeyZQOQIBXXGMNLPD-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide
CID 83768417
3-(3-chloro-2-methylphenyl)-1,1-bis(prop-2-enyl)thiourea
CID 19653077
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79275847
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
(2R)-2-(azocan-1-ium-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 9460387
N-(3-chloro-2-methylphenyl)-3-methyl-2-sulfanylbutanamide
CID 107020086
N-(3-chloro-2-methylphenyl)-2-methylbutanediamide
CID 82120222
N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide
CID 4185911
N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 4311330
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(3-chloro-2-methylphenyl)-2-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 132660099

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-(3-chloro-2-methylphenyl)propanamide?
The IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-(3-chloro-2-methylphenyl)propanamide (CID 84571182) is 2-[acetyl(prop-2-enyl)amino]-N-(3-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 2-[acetyl(prop-2-enyl)amino]-N-(3-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 2-[acetyl(prop-2-enyl)amino]-N-(3-chloro-2-methylphenyl)propanamide is C=CCN(C(C)=O)C(C)C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of 2-[acetyl(prop-2-enyl)amino]-N-(3-chloro-2-methylphenyl)propanamide?
The InChIKey is ZQOQIBXXGMNLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-5-9-18(12(4)19)11(3)15(20)17-14-8-6-7-13(16)10(14)2/h5-8,11H,1,9H2,2-4H3,(H,17,20).
What are the key properties of 2-[acetyl(prop-2-enyl)amino]-N-(3-chloro-2-methylphenyl)propanamide?
2-[acetyl(prop-2-enyl)amino]-N-(3-chloro-2-methylphenyl)propanamide has a molecular weight of 294.78 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(prop-2-enyl)amino]-N-(3-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 84571182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).