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

C14H17FN2O — CID 79207504

IUPAC4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide
SMILESCCN(C(=O)C1C=CC(N)C1)c1cccc(F)c1
InChIInChI=1S/C14H17FN2O/c1-2-17(13-5-3-4-11(15)9-13)14(18)10-6-7-12(16)8-10/h3-7,9-10,12H,2,8,16H2,1H3
InChIKeyHTDRKRUDULXTDL-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.08
Rot. Bonds3

About 4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide

4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79207504) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide
PubChem CID79207504
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide
SMILESCCN(C(=O)C1C=CC(N)C1)c1cccc(F)c1
InChIInChI=1S/C14H17FN2O/c1-2-17(13-5-3-4-11(15)9-13)14(18)10-6-7-12(16)8-10/h3-7,9-10,12H,2,8,16H2,1H3
InChIKeyHTDRKRUDULXTDL-UHFFFAOYSA-N
XLogP2.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide
CID 55149318
N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide
CID 107027159
(3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 81140928
4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide
CID 79210719
2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid
CID 62709879
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide
CID 104678073
1-carbamothioyl-N-ethyl-N-(3-fluorophenyl)-3-methylcyclobutane-1-carboxamide
CID 80589160
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide
CID 63213412
6-amino-N-ethyl-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 62238970
2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide
CID 76924070
(2S,4R)-1-[ethyl-(3-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842361

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide (CID 79207504) is 4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide is CCN(C(=O)C1C=CC(N)C1)c1cccc(F)c1.
What is the InChIKey of 4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is HTDRKRUDULXTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-2-17(13-5-3-4-11(15)9-13)14(18)10-6-7-12(16)8-10/h3-7,9-10,12H,2,8,16H2,1H3.
What are the key properties of 4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 248.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).