N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide

C10H9F2N3O3 — CID 79773195

IUPACN-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide
SMILESNC1CC1NC(=O)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C10H9F2N3O3/c11-4-1-2-7(15(17)18)9(12)8(4)10(16)14-6-3-5(6)13/h1-2,5-6H,3,13H2,(H,14,16)
InChIKeyZJLKVYNAIDBKAP-UHFFFAOYSA-N
MW257.20 g/mol
LogP0.70
Rot. Bonds3

About N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide

N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide (PubChem CID 79773195) has the molecular formula C10H9F2N3O3 and a molecular weight of 257.20 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide
PubChem CID79773195
Molecular FormulaC10H9F2N3O3
Molecular Weight257.20 g/mol
Exact Mass257.06
IUPAC NameN-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide
SMILESNC1CC1NC(=O)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C10H9F2N3O3/c11-4-1-2-7(15(17)18)9(12)8(4)10(16)14-6-3-5(6)13/h1-2,5-6H,3,13H2,(H,14,16)
InChIKeyZJLKVYNAIDBKAP-UHFFFAOYSA-N
XLogP0.70
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 50.70
H-Bond Donors ≤ 52
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-(2-aminocyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 79773409
N-(2-aminocyclohexyl)-2,6-difluoro-3-nitrobenzamide
CID 79758988
N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide
CID 79773263
N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide
CID 79760259
N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 80661523
2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide
CID 103740035
[(2,6-difluoro-3-nitrobenzoyl)amino]urea
CID 79772861
N-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide
CID 43593870
2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79773554
2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide
CID 113322130
N-[(3-chlorocyclopentyl)methyl]-2,6-difluoro-3-nitrobenzamide
CID 106127655
2,6-difluoro-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide
CID 106995174

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide?
The IUPAC name of N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide (CID 79773195) is N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide?
The canonical SMILES for N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide is NC1CC1NC(=O)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide?
The InChIKey is ZJLKVYNAIDBKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O3/c11-4-1-2-7(15(17)18)9(12)8(4)10(16)14-6-3-5(6)13/h1-2,5-6H,3,13H2,(H,14,16).
What are the key properties of N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide?
N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide has a molecular weight of 257.20 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide is sourced from PubChem (CID 79773195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).