N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide

C12H13FN2O3 — CID 110461317

IUPACN-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide
SMILESO=C(Nc1cc(F)ccc1[N+](=O)[O-])C1CCCC1
InChIInChI=1S/C12H13FN2O3/c13-9-5-6-11(15(17)18)10(7-9)14-12(16)8-3-1-2-4-8/h5-8H,1-4H2,(H,14,16)
InChIKeyNVOUFOKHHYIUMF-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.86
Rot. Bonds3

About N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide

N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide (PubChem CID 110461317) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide
PubChem CID110461317
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC NameN-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide
SMILESO=C(Nc1cc(F)ccc1[N+](=O)[O-])C1CCCC1
InChIInChI=1S/C12H13FN2O3/c13-9-5-6-11(15(17)18)10(7-9)14-12(16)8-3-1-2-4-8/h5-8H,1-4H2,(H,14,16)
InChIKeyNVOUFOKHHYIUMF-UHFFFAOYSA-N
XLogP2.86
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide
CID 4114738
N-cyclopentyl-5-fluoro-2-nitroaniline
CID 62376758
2-(cycloheptanecarbonylamino)-4-fluorobenzoic acid
CID 62585770
N-(2-acetamido-5-fluorophenyl)cyclohexanecarboxamide
CID 113092924
N-[2-nitro-4-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 139638246
1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea
CID 116656949
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide
CID 78914527
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 113092391
N-[2-(dimethylamino)-5-fluorophenyl]cyclobutanecarboxamide
CID 113092522

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide?
The IUPAC name of N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide (CID 110461317) is N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide is O=C(Nc1cc(F)ccc1[N+](=O)[O-])C1CCCC1.
What is the InChIKey of N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide?
The InChIKey is NVOUFOKHHYIUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-9-5-6-11(15(17)18)10(7-9)14-12(16)8-3-1-2-4-8/h5-8H,1-4H2,(H,14,16).
What are the key properties of N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide?
N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide has a molecular weight of 252.24 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide is sourced from PubChem (CID 110461317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).