2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide

C13H13F2NO2 — CID 111661638

IUPAC2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1cc(F)ccc1F
InChIInChI=1S/C13H13F2NO2/c14-9-2-4-12(15)11(6-9)13(18)16-10-3-1-8(5-10)7-17/h1-4,6,8,10,17H,5,7H2,(H,16,18)/t8-,10+/m0/s1
InChIKeyJGSHECLSSQLKIA-WCBMZHEXSA-N
MW253.25 g/mol
LogP1.63
Rot. Bonds3

About 2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide

2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide (PubChem CID 111661638) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
PubChem CID111661638
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1cc(F)ccc1F
InChIInChI=1S/C13H13F2NO2/c14-9-2-4-12(15)11(6-9)13(18)16-10-3-1-8(5-10)7-17/h1-4,6,8,10,17H,5,7H2,(H,16,18)/t8-,10+/m0/s1
InChIKeyJGSHECLSSQLKIA-WCBMZHEXSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-2-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111696825
7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 111696910
7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide
CID 111661805
2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide
CID 111697111
5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide
CID 111697167
1-[2-(2,4-difluorophenyl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631011
3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide
CID 111697126
5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide
CID 111661565
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
4-[(2,4-difluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209546
4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide
CID 111860717
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide
CID 111696706

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
The IUPAC name of 2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide (CID 111661638) is 2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide is O=C(N[C@@H]1C=C[C@H](CO)C1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
The InChIKey is JGSHECLSSQLKIA-WCBMZHEXSA-N. The full InChI is InChI=1S/C13H13F2NO2/c14-9-2-4-12(15)11(6-9)13(18)16-10-3-1-8(5-10)7-17/h1-4,6,8,10,17H,5,7H2,(H,16,18)/t8-,10+/m0/s1.
What are the key properties of 2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide has a molecular weight of 253.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide is sourced from PubChem (CID 111661638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).