2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide

C13H16FN3O4 — CID 107123005

IUPAC2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide
SMILESCOC1CCCC1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N
InChIInChI=1S/C13H16FN3O4/c1-21-11-4-2-3-9(11)16-13(18)8-5-7(14)6-10(12(8)15)17(19)20/h5-6,9,11H,2-4,15H2,1H3,(H,16,18)
InChIKeyZOXVIBDOIXQZHH-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.61
Rot. Bonds4

About 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide

2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide (PubChem CID 107123005) has the molecular formula C13H16FN3O4 and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide
PubChem CID107123005
Molecular FormulaC13H16FN3O4
Molecular Weight297.29 g/mol
Exact Mass297.11
IUPAC Name2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide
SMILESCOC1CCCC1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N
InChIInChI=1S/C13H16FN3O4/c1-21-11-4-2-3-9(11)16-13(18)8-5-7(14)6-10(12(8)15)17(19)20/h5-6,9,11H,2-4,15H2,1H3,(H,16,18)
InChIKeyZOXVIBDOIXQZHH-UHFFFAOYSA-N
XLogP1.61
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-(2-methoxycyclopentyl)-3-nitrobenzamide
CID 115694309
2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide
CID 104699356
2-amino-N-[2-(aminomethyl)cyclopentyl]-5-fluoro-3-nitrobenzamide;hydrochloride
CID 119602993
2-amino-5-fluoro-N-(2-methoxycyclopentyl)benzamide
CID 62086919
2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide
CID 107123224
2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
CID 107200147
2-amino-5-fluoro-N-(3-methylcyclobutyl)-3-nitrobenzamide
CID 103720356
2-amino-5-fluoro-N-(3-methylpiperidin-4-yl)-3-nitrobenzamide
CID 120556694
2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
CID 62087506
2-amino-5-fluoro-N-(2-methyloxan-4-yl)-3-nitrobenzamide
CID 103889482
2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide
CID 107123296
N-[2-(chloromethyl)cyclopentyl]-2,5-difluoro-3-nitrobenzamide
CID 106366051

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide?
The IUPAC name of 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide (CID 107123005) is 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide is COC1CCCC1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N.
What is the InChIKey of 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide?
The InChIKey is ZOXVIBDOIXQZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O4/c1-21-11-4-2-3-9(11)16-13(18)8-5-7(14)6-10(12(8)15)17(19)20/h5-6,9,11H,2-4,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide?
2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide has a molecular weight of 297.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide is sourced from PubChem (CID 107123005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).