N-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide

C17H17FN2O4 — CID 87024565

IUPACN-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1F)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C17H17FN2O4/c18-16-10-13(20(22)23)7-8-15(16)17(21)19(12-4-1-2-5-12)11-14-6-3-9-24-14/h3,6-10,12H,1-2,4-5,11H2
InChIKeyIJFKSNZSNPFBGK-UHFFFAOYSA-N
MW332.33 g/mol
LogP3.91
Rot. Bonds5

About N-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide

N-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide (PubChem CID 87024565) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide
PubChem CID87024565
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC NameN-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1F)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C17H17FN2O4/c18-16-10-13(20(22)23)7-8-15(16)17(21)19(12-4-1-2-5-12)11-14-6-3-9-24-14/h3,6-10,12H,1-2,4-5,11H2
InChIKeyIJFKSNZSNPFBGK-UHFFFAOYSA-N
XLogP3.91
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
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

N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide
CID 87024573
N-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide
CID 75479572
N-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide
CID 102866417
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide
CID 61050877
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide
CID 112817353
N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)-2-hydroxybenzamide
CID 115299012
N-cyclopropyl-3-fluoro-N-(furan-2-ylmethyl)-5-nitroaniline
CID 80753176
2-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107074445
N-cyclopentyl-2,2-difluoro-N-(furan-2-ylmethyl)acetamide
CID 103514769
N-cyclopentyl-N-(furan-2-ylmethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103337341
2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 103754840

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide?
The IUPAC name of N-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide (CID 87024565) is N-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide.
What is the SMILES notation for N-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide?
The canonical SMILES for N-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide is O=C(c1ccc([N+](=O)[O-])cc1F)N(Cc1ccco1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide?
The InChIKey is IJFKSNZSNPFBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c18-16-10-13(20(22)23)7-8-15(16)17(21)19(12-4-1-2-5-12)11-14-6-3-9-24-14/h3,6-10,12H,1-2,4-5,11H2.
What are the key properties of N-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide?
N-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide has a molecular weight of 332.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide is sourced from PubChem (CID 87024565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).