3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide

C12H15ClN2O — CID 107273388

IUPAC3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide
SMILESC=C(Cl)CNC(=O)CCc1ccccc1N
InChIInChI=1S/C12H15ClN2O/c1-9(13)8-15-12(16)7-6-10-4-2-3-5-11(10)14/h2-5H,1,6-8,14H2,(H,15,16)
InChIKeyHAQCWBATLVSPGK-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.07
Rot. Bonds5

About 3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide

3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide (PubChem CID 107273388) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide
PubChem CID107273388
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide
SMILESC=C(Cl)CNC(=O)CCc1ccccc1N
InChIInChI=1S/C12H15ClN2O/c1-9(13)8-15-12(16)7-6-10-4-2-3-5-11(10)14/h2-5H,1,6-8,14H2,(H,15,16)
InChIKeyHAQCWBATLVSPGK-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide
CID 115637010
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
(2S)-3-[3-(2-aminophenyl)propanoylamino]-2-hydroxypropanoic acid
CID 107835782
3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
CID 120611896
N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide
CID 115636757
N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
CID 107272767
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
3-(2-chlorophenyl)-N-(2-methylprop-2-enyl)propanamide
CID 114618383
3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28714106
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide
CID 120610293

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide (CID 107273388) is 3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide is C=C(Cl)CNC(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide?
The InChIKey is HAQCWBATLVSPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-9(13)8-15-12(16)7-6-10-4-2-3-5-11(10)14/h2-5H,1,6-8,14H2,(H,15,16).
What are the key properties of 3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide?
3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide has a molecular weight of 238.72 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide is sourced from PubChem (CID 107273388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).