4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide

C12H12Cl2N2O — CID 79210508

IUPAC4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H12Cl2N2O/c13-10-4-3-9(6-11(10)14)16-12(17)7-1-2-8(15)5-7/h1-4,6-8H,5,15H2,(H,16,17)
InChIKeyWDWOLZQXLBQPPT-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.84
Rot. Bonds2

About 4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79210508) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
PubChem CID79210508
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H12Cl2N2O/c13-10-4-3-9(6-11(10)14)16-12(17)7-1-2-8(15)5-7/h1-4,6-8H,5,15H2,(H,16,17)
InChIKeyWDWOLZQXLBQPPT-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.84
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-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211066
4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide
CID 79211097
4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide
CID 79210516
4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide
CID 79209278
4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide
CID 79207327
4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide
CID 81263521
4-amino-N-(4-methyl-3-nitrophenyl)cyclopent-2-ene-1-carboxamide
CID 79211476
4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210585
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-chlorobenzoic acid
CID 79207584
4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211271
4-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopent-2-ene-1-carboxamide
CID 79210458
4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79211350

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide (CID 79210508) is 4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)Nc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is WDWOLZQXLBQPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c13-10-4-3-9(6-11(10)14)16-12(17)7-1-2-8(15)5-7/h1-4,6-8H,5,15H2,(H,16,17).
What are the key properties of 4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 271.15 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).