N-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide

C15H19FN2O3 — CID 106013508

IUPACN-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide
SMILESO=C(NCCCC1CCCC1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C15H19FN2O3/c16-14-8-7-12(18(20)21)10-13(14)15(19)17-9-3-6-11-4-1-2-5-11/h7-8,10-11H,1-6,9H2,(H,17,19)
InChIKeyOAFMHTQXRYUNJI-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.43
Rot. Bonds6

About N-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide

N-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide (PubChem CID 106013508) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide
PubChem CID106013508
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC NameN-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide
SMILESO=C(NCCCC1CCCC1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C15H19FN2O3/c16-14-8-7-12(18(20)21)10-13(14)15(19)17-9-3-6-11-4-1-2-5-11/h7-8,10-11H,1-6,9H2,(H,17,19)
InChIKeyOAFMHTQXRYUNJI-UHFFFAOYSA-N
XLogP3.43
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide
CID 104877743
2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide
CID 43808767
N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide
CID 115635942
2-fluoro-5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971818
N-[3-[[6-(cyclopentylmethoxy)-4-(trifluoromethyl)-2-pyridinyl]oxy]propyl]-2-fluoro-5-nitrobenzamide
CID 23152050
2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide
CID 43377388
N-(2-cyclopropyl-2-hydroxyethyl)-2-fluoro-5-nitrobenzamide
CID 63298381
2-fluoro-5-nitro-N-(3-phenylsulfanylpropyl)benzamide
CID 23152090
ethyl 4-[(2-fluoro-5-nitrobenzoyl)amino]butanoate
CID 64576557
2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide
CID 65107582
N-(2-cyclopentylethyl)-2-fluoro-5-methylbenzamide
CID 62509050
N-(3-cyclopentylpropyl)-4-fluoro-2-hydroxybenzamide
CID 106011705

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide?
The IUPAC name of N-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide (CID 106013508) is N-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide is O=C(NCCCC1CCCC1)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide?
The InChIKey is OAFMHTQXRYUNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-14-8-7-12(18(20)21)10-13(14)15(19)17-9-3-6-11-4-1-2-5-11/h7-8,10-11H,1-6,9H2,(H,17,19).
What are the key properties of N-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide?
N-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide has a molecular weight of 294.33 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide is sourced from PubChem (CID 106013508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).