4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide

C13H15FN2O2 — CID 114263126

IUPAC4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide
SMILESCOc1cc(F)cc(NC(=O)C2C=CC(N)C2)c1
InChIInChI=1S/C13H15FN2O2/c1-18-12-6-9(14)5-11(7-12)16-13(17)8-2-3-10(15)4-8/h2-3,5-8,10H,4,15H2,1H3,(H,16,17)
InChIKeyMGGQOVNGDVZFNO-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.68
Rot. Bonds3

About 4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide (PubChem CID 114263126) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide
PubChem CID114263126
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide
SMILESCOc1cc(F)cc(NC(=O)C2C=CC(N)C2)c1
InChIInChI=1S/C13H15FN2O2/c1-18-12-6-9(14)5-11(7-12)16-13(17)8-2-3-10(15)4-8/h2-3,5-8,10H,4,15H2,1H3,(H,16,17)
InChIKeyMGGQOVNGDVZFNO-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.68
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

4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210585
4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211392
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid
CID 115411484
4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211303
4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211304
4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210859
1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea
CID 172732018
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide
CID 116699756
N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide
CID 79207031
N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide
CID 130500039
4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
CID 79210508
4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide
CID 79210516

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide (CID 114263126) is 4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide is COc1cc(F)cc(NC(=O)C2C=CC(N)C2)c1.
What is the InChIKey of 4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is MGGQOVNGDVZFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-18-12-6-9(14)5-11(7-12)16-13(17)8-2-3-10(15)4-8/h2-3,5-8,10H,4,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 250.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 114263126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).