(4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone

C13H14FNO2 — CID 103397139

IUPAC(4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2C=CC(N)C2)c(F)c1
InChIInChI=1S/C13H14FNO2/c1-17-10-4-5-11(12(14)7-10)13(16)8-2-3-9(15)6-8/h2-5,7-9H,6,15H2,1H3
InChIKeyRULZNYKLTUXAOK-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.92
Rot. Bonds3

About (4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone

(4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 103397139) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID103397139
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name(4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2C=CC(N)C2)c(F)c1
InChIInChI=1S/C13H14FNO2/c1-17-10-4-5-11(12(14)7-10)13(16)8-2-3-9(15)6-8/h2-5,7-9H,6,15H2,1H3
InChIKeyRULZNYKLTUXAOK-UHFFFAOYSA-N
XLogP1.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103397145
N-(2-aminocyclopropyl)-2-fluoro-4-methoxybenzamide
CID 103804989
(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone
CID 81304901
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid
CID 115411484
[2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103397138
(4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone
CID 105396498
(2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176454
(2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 103397092
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106123955
4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211392
N-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 103807666

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone (CID 103397139) is (4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)C2C=CC(N)C2)c(F)c1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is RULZNYKLTUXAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-17-10-4-5-11(12(14)7-10)13(16)8-2-3-9(15)6-8/h2-5,7-9H,6,15H2,1H3.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
(4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 235.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 103397139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).