N-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide

C12H13FN2O — CID 64766487

IUPACN-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide
SMILESNc1ccc(F)c(NC(=O)C2CC=CC2)c1
InChIInChI=1S/C12H13FN2O/c13-10-6-5-9(14)7-11(10)15-12(16)8-3-1-2-4-8/h1-2,5-8H,3-4,14H2,(H,15,16)
InChIKeyAFWIVIHNLGQADG-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.31
Rot. Bonds2

About N-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide

N-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide (PubChem CID 64766487) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide
PubChem CID64766487
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC NameN-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide
SMILESNc1ccc(F)c(NC(=O)C2CC=CC2)c1
InChIInChI=1S/C12H13FN2O/c13-10-6-5-9(14)7-11(10)15-12(16)8-3-1-2-4-8/h1-2,5-8H,3-4,14H2,(H,15,16)
InChIKeyAFWIVIHNLGQADG-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81466790
N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 43600111
N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43600078
N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide
CID 79751128
1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
CID 16777424
2-(cyclopent-3-ene-1-carbonylamino)-6-fluorobenzoic acid
CID 64767259
5-(cyclopent-3-ene-1-carbonylamino)-2-fluorobenzoic acid
CID 64766907
4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide
CID 119711617
N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
CID 16771732
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
N-(2-fluoro-5-sulfamoylphenyl)cyclopropanecarboxamide
CID 61130725
3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550192

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide (CID 64766487) is N-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide is Nc1ccc(F)c(NC(=O)C2CC=CC2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is AFWIVIHNLGQADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-10-6-5-9(14)7-11(10)15-12(16)8-3-1-2-4-8/h1-2,5-8H,3-4,14H2,(H,15,16).
What are the key properties of N-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide?
N-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 220.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 64766487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).