2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide

C12H14FN3O3 — CID 107122863

IUPAC2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide
SMILESNc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1CCCC1
InChIInChI=1S/C12H14FN3O3/c13-8-5-6-9(16(18)19)11(14)10(8)12(17)15-7-3-1-2-4-7/h5-7H,1-4,14H2,(H,15,17)
InChIKeySZHHXBUBYCLVEX-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.99
Rot. Bonds3

About 2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide

2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide (PubChem CID 107122863) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide
PubChem CID107122863
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide
SMILESNc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1CCCC1
InChIInChI=1S/C12H14FN3O3/c13-8-5-6-9(16(18)19)11(14)10(8)12(17)15-7-3-1-2-4-7/h5-7H,1-4,14H2,(H,15,17)
InChIKeySZHHXBUBYCLVEX-UHFFFAOYSA-N
XLogP1.99
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide
CID 79773263
3-amino-N-cyclopentyl-2,6-difluorobenzamide
CID 79768023
2,6-difluoro-3-nitro-N-(oxan-3-yl)benzamide
CID 103740066
2-amino-6-fluoro-N-(2-methylbutan-2-yl)-3-nitrobenzamide
CID 107122853
2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide
CID 107122880
N-(2-aminocyclohexyl)-2,6-difluoro-3-nitrobenzamide
CID 79758988
2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79773554
2-amino-6-fluoro-N-(3-methylbutyl)-3-nitrobenzamide
CID 107122826
2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide
CID 113322130
N-(2-aminocyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 79773409
2-amino-6-fluoro-3-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 106432962
4-amino-N-cyclopentyl-3-nitrobenzamide
CID 25466600

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide?
The IUPAC name of 2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide (CID 107122863) is 2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide is Nc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1CCCC1.
What is the InChIKey of 2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide?
The InChIKey is SZHHXBUBYCLVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-8-5-6-9(16(18)19)11(14)10(8)12(17)15-7-3-1-2-4-7/h5-7H,1-4,14H2,(H,15,17).
What are the key properties of 2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide?
2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide has a molecular weight of 267.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide is sourced from PubChem (CID 107122863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).