4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide

C13H15FN2O4 — CID 62517569

IUPAC4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide
SMILESO=C(NC1(CO)CCCC1)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H15FN2O4/c14-10-4-3-9(7-11(10)16(19)20)12(18)15-13(8-17)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8H2,(H,15,18)
InChIKeyTWWWXFGIRDZAEY-UHFFFAOYSA-N
MW282.27 g/mol
LogP1.77
Rot. Bonds4

About 4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide

4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide (PubChem CID 62517569) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide
PubChem CID62517569
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide
SMILESO=C(NC1(CO)CCCC1)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H15FN2O4/c14-10-4-3-9(7-11(10)16(19)20)12(18)15-13(8-17)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8H2,(H,15,18)
InChIKeyTWWWXFGIRDZAEY-UHFFFAOYSA-N
XLogP1.77
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]-3-nitrobenzamide
CID 62520955
N-[1-(hydroxymethyl)cyclobutyl]-4-methylsulfanyl-3-nitrobenzamide
CID 115877899
3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878348
N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-nitrobenzamide
CID 115970064
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62524113
4-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-nitrobenzamide
CID 114756205
N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide
CID 113248304
4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878206
4-fluoro-N-[(1-methylcyclopropyl)methyl]-3-nitrobenzamide
CID 103722148
N-[1-(hydroxymethyl)cyclobutyl]-3-nitrobenzamide
CID 115878142
4-fluoro-3-nitro-N-sulfanylbenzamide
CID 142948721
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 63186841

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide?
The IUPAC name of 4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide (CID 62517569) is 4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide.
What is the SMILES notation for 4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide?
The canonical SMILES for 4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide is O=C(NC1(CO)CCCC1)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide?
The InChIKey is TWWWXFGIRDZAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c14-10-4-3-9(7-11(10)16(19)20)12(18)15-13(8-17)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8H2,(H,15,18).
What are the key properties of 4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide?
4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide has a molecular weight of 282.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide is sourced from PubChem (CID 62517569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).