2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide

C12H15ClN2O — CID 107625274

IUPAC2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide
SMILESC=CCC(N)C(=O)Nc1cc(C)ccc1Cl
InChIInChI=1S/C12H15ClN2O/c1-3-4-10(14)12(16)15-11-7-8(2)5-6-9(11)13/h3,5-7,10H,1,4,14H2,2H3,(H,15,16)
InChIKeyUKZYDFWBTJTORB-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.49
Rot. Bonds4

About 2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide

2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide (PubChem CID 107625274) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide
PubChem CID107625274
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide
SMILESC=CCC(N)C(=O)Nc1cc(C)ccc1Cl
InChIInChI=1S/C12H15ClN2O/c1-3-4-10(14)12(16)15-11-7-8(2)5-6-9(11)13/h3,5-7,10H,1,4,14H2,2H3,(H,15,16)
InChIKeyUKZYDFWBTJTORB-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
CID 119279638
ethyl 2-[(2-chloro-5-methylphenyl)carbamoyl]-3,3-dimethylbutanoate
CID 104918215
2-(2-chloro-5-methylanilino)-N-prop-2-enylpropanamide
CID 107634612
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide
CID 25239160
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671
N-(2-chloro-5-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119705341
N-(2-chloro-5-methylphenyl)-3-methylbut-2-enamide
CID 130162808
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389
(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide
CID 79025128
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904678
N-(2-chloro-5-methylphenyl)-2-methoxyacetamide
CID 103769395

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide?
The IUPAC name of 2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide (CID 107625274) is 2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide.
What is the SMILES notation for 2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide?
The canonical SMILES for 2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide is C=CCC(N)C(=O)Nc1cc(C)ccc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide?
The InChIKey is UKZYDFWBTJTORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-3-4-10(14)12(16)15-11-7-8(2)5-6-9(11)13/h3,5-7,10H,1,4,14H2,2H3,(H,15,16).
What are the key properties of 2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide?
2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide has a molecular weight of 238.72 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide is sourced from PubChem (CID 107625274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).