4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide

C13H15ClN2O — CID 79211066

IUPAC4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide
SMILESCc1ccc(NC(=O)C2C=CC(N)C2)cc1Cl
InChIInChI=1S/C13H15ClN2O/c1-8-2-5-11(7-12(8)14)16-13(17)9-3-4-10(15)6-9/h2-5,7,9-10H,6,15H2,1H3,(H,16,17)
InChIKeyWVFSDAUPDZBGIR-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.49
Rot. Bonds2

About 4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211066) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide
PubChem CID79211066
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide
SMILESCc1ccc(NC(=O)C2C=CC(N)C2)cc1Cl
InChIInChI=1S/C13H15ClN2O/c1-8-2-5-11(7-12(8)14)16-13(17)9-3-4-10(15)6-9/h2-5,7,9-10H,6,15H2,1H3,(H,16,17)
InChIKeyWVFSDAUPDZBGIR-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
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

4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
CID 79210508
4-amino-N-(4-methyl-3-nitrophenyl)cyclopent-2-ene-1-carboxamide
CID 79211476
3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide
CID 79207031
4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216656
4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide
CID 79209278
(1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5412789
(1R,2S,3S,4R)-3-[(3-chloro-4-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98292039
4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211392
4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide
CID 79211253
4-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79209500
ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate
CID 79207693

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide (CID 79211066) is 4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide is Cc1ccc(NC(=O)C2C=CC(N)C2)cc1Cl.
What is the InChIKey of 4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is WVFSDAUPDZBGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-8-2-5-11(7-12(8)14)16-13(17)9-3-4-10(15)6-9/h2-5,7,9-10H,6,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 250.73 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).