5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide

C17H16FNO3 — CID 111661565

IUPAC5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H16FNO3/c18-13-4-2-12(3-5-13)15-7-8-16(22-15)17(21)19-14-6-1-11(9-14)10-20/h1-8,11,14,20H,9-10H2,(H,19,21)/t11-,14+/m0/s1
InChIKeyDCCXZAAZERVPDZ-SMDDNHRTSA-N
MW301.32 g/mol
LogP2.75
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide

5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide (PubChem CID 111661565) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide
PubChem CID111661565
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H16FNO3/c18-13-4-2-12(3-5-13)15-7-8-16(22-15)17(21)19-14-6-1-11(9-14)10-20/h1-8,11,14,20H,9-10H2,(H,19,21)/t11-,14+/m0/s1
InChIKeyDCCXZAAZERVPDZ-SMDDNHRTSA-N
XLogP2.75
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.75
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

5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide
CID 111661261
5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide
CID 111697167
2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661638
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylphenyl)acetamide
CID 111661356
5-(4-fluorophenyl)-N-(2-methylcyclohexyl)furan-2-carboxamide
CID 24502726
5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide
CID 9084334
5-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]furan-2-carbohydrazide
CID 31725805
N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane
CID 161354262
4-(4-chlorophenyl)-2-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111696825
3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide
CID 111661196
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
7-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide
CID 111696730

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide (CID 111661565) is 5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide is O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide?
The InChIKey is DCCXZAAZERVPDZ-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H16FNO3/c18-13-4-2-12(3-5-13)15-7-8-16(22-15)17(21)19-14-6-1-11(9-14)10-20/h1-8,11,14,20H,9-10H2,(H,19,21)/t11-,14+/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide?
5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide is sourced from PubChem (CID 111661565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).