2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide

C13H14F2N2O4 — CID 104699356

IUPAC2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide
SMILESCOC1CCCC1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H14F2N2O4/c1-21-12-4-2-3-10(12)16-13(18)7-5-9(15)11(17(19)20)6-8(7)14/h5-6,10,12H,2-4H2,1H3,(H,16,18)
InChIKeyKAEIKTGWUXFRGL-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.17
Rot. Bonds4

About 2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide

2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide (PubChem CID 104699356) has the molecular formula C13H14F2N2O4 and a molecular weight of 300.26 g/mol. Its IUPAC name is 2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide
PubChem CID104699356
Molecular FormulaC13H14F2N2O4
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC Name2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide
SMILESCOC1CCCC1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H14F2N2O4/c1-21-12-4-2-3-10(12)16-13(18)7-5-9(15)11(17(19)20)6-8(7)14/h5-6,10,12H,2-4H2,1H3,(H,16,18)
InChIKeyKAEIKTGWUXFRGL-UHFFFAOYSA-N
XLogP2.17
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
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'}

Analyze 2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide
CID 107123005
2-amino-N-(2-methoxycyclopentyl)-3-nitrobenzamide
CID 115694309
4-fluoro-5-[(2-methoxycyclopentyl)amino]-2-nitrobenzoic acid
CID 62087189
2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
CID 62087506
2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide
CID 62088634
2,5-difluoro-N-(1-methylpiperidin-4-yl)-4-nitrobenzamide
CID 67159216
2-amino-5-fluoro-N-(2-methoxycyclopentyl)benzamide
CID 62086919
2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
CID 107200147
2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide
CID 113322132
4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline
CID 103591652
4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline
CID 43785721
5-chloro-2-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087187

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide?
The IUPAC name of 2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide (CID 104699356) is 2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide.
What is the SMILES notation for 2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide?
The canonical SMILES for 2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide is COC1CCCC1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F.
What is the InChIKey of 2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide?
The InChIKey is KAEIKTGWUXFRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O4/c1-21-12-4-2-3-10(12)16-13(18)7-5-9(15)11(17(19)20)6-8(7)14/h5-6,10,12H,2-4H2,1H3,(H,16,18).
What are the key properties of 2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide?
2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide has a molecular weight of 300.26 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide is sourced from PubChem (CID 104699356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).