4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide

C13H12ClN3O — CID 79211095

IUPAC4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)C1C=CC(N)C1
InChIInChI=1S/C13H12ClN3O/c14-10-3-1-9(7-15)12(6-10)17-13(18)8-2-4-11(16)5-8/h1-4,6,8,11H,5,16H2,(H,17,18)
InChIKeyRXPMRJHNCIEXBT-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.05
Rot. Bonds2

About 4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211095) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide
PubChem CID79211095
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)C1C=CC(N)C1
InChIInChI=1S/C13H12ClN3O/c14-10-3-1-9(7-15)12(6-10)17-13(18)8-2-4-11(16)5-8/h1-4,6,8,11H,5,16H2,(H,17,18)
InChIKeyRXPMRJHNCIEXBT-UHFFFAOYSA-N
XLogP2.05
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-chlorobenzoic acid
CID 79207584
4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide
CID 81263521
cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93366184
N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106892899
4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-3-fluorobenzoic acid
CID 79208389
5-[(5-chloro-2-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687943
N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422973
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
CID 54917775
N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 43702291
4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
CID 79210508
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065408
1-N-(2-cyanophenyl)-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144163

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide (CID 79211095) is 4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide is N#Cc1ccc(Cl)cc1NC(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is RXPMRJHNCIEXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-10-3-1-9(7-15)12(6-10)17-13(18)8-2-4-11(16)5-8/h1-4,6,8,11H,5,16H2,(H,17,18).
What are the key properties of 4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 261.71 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).