4-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide

C16H20FN3O — CID 79209500

IUPAC4-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2ccc(N3CCCC3)c(F)c2)C1
InChIInChI=1S/C16H20FN3O/c17-14-10-13(5-6-15(14)20-7-1-2-8-20)19-16(21)11-3-4-12(18)9-11/h3-6,10-12H,1-2,7-9,18H2,(H,19,21)
InChIKeyKONBQANDNTUYPU-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.27
Rot. Bonds3

About 4-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79209500) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide
PubChem CID79209500
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name4-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2ccc(N3CCCC3)c(F)c2)C1
InChIInChI=1S/C16H20FN3O/c17-14-10-13(5-6-15(14)20-7-1-2-8-20)19-16(21)11-3-4-12(18)9-11/h3-6,10-12H,1-2,7-9,18H2,(H,19,21)
InChIKeyKONBQANDNTUYPU-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211271
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
2,2,2-trifluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 62729167
4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
CID 79210508
4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-3-fluorobenzoic acid
CID 79208389
4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211066
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
CID 47311900
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
CID 54867208
N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 139018785
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-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide (CID 79209500) is 4-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)Nc2ccc(N3CCCC3)c(F)c2)C1.
What is the InChIKey of 4-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is KONBQANDNTUYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-14-10-13(5-6-15(14)20-7-1-2-8-20)19-16(21)11-3-4-12(18)9-11/h3-6,10-12H,1-2,7-9,18H2,(H,19,21).
What are the key properties of 4-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 289.35 g/mol, XLogP of 2.27, 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-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79209500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).