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

C14H16F2N2O3 — CID 107122177

IUPACN-(2,2-dimethylcyclopentyl)-2,6-difluoro-3-nitrobenzamide
SMILESCC1(C)CCCC1NC(=O)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C14H16F2N2O3/c1-14(2)7-3-4-10(14)17-13(19)11-8(15)5-6-9(12(11)16)18(20)21/h5-6,10H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyIOGGWHBMOUEBIE-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.18
Rot. Bonds3

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

N-(2,2-dimethylcyclopentyl)-2,6-difluoro-3-nitrobenzamide (PubChem CID 107122177) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-2,6-difluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-2,6-difluoro-3-nitrobenzamide
PubChem CID107122177
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC NameN-(2,2-dimethylcyclopentyl)-2,6-difluoro-3-nitrobenzamide
SMILESCC1(C)CCCC1NC(=O)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C14H16F2N2O3/c1-14(2)7-3-4-10(14)17-13(19)11-8(15)5-6-9(12(11)16)18(20)21/h5-6,10H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyIOGGWHBMOUEBIE-UHFFFAOYSA-N
XLogP3.18
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,2-dimethylcyclohexyl)-3-fluoro-4-nitrobenzamide
CID 79869888
5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide
CID 79873334
N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 80661523
N-(2-aminocyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 79773409
N-(2-aminocyclohexyl)-2,6-difluoro-3-nitrobenzamide
CID 79758988
N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide
CID 79773195
N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide
CID 79773263
2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide
CID 113322130
2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79773554
2,6-difluoro-3-nitro-N-(oxan-3-yl)benzamide
CID 103740066
N-(1-ethylcyclobutyl)-2,6-difluoro-3-nitrobenzamide
CID 107122310
2,6-difluoro-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide
CID 106995174

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-2,6-difluoro-3-nitrobenzamide?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-2,6-difluoro-3-nitrobenzamide (CID 107122177) is N-(2,2-dimethylcyclopentyl)-2,6-difluoro-3-nitrobenzamide.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-2,6-difluoro-3-nitrobenzamide?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-2,6-difluoro-3-nitrobenzamide is CC1(C)CCCC1NC(=O)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-2,6-difluoro-3-nitrobenzamide?
The InChIKey is IOGGWHBMOUEBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-14(2)7-3-4-10(14)17-13(19)11-8(15)5-6-9(12(11)16)18(20)21/h5-6,10H,3-4,7H2,1-2H3,(H,17,19).
What are the key properties of N-(2,2-dimethylcyclopentyl)-2,6-difluoro-3-nitrobenzamide?
N-(2,2-dimethylcyclopentyl)-2,6-difluoro-3-nitrobenzamide has a molecular weight of 298.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-2,6-difluoro-3-nitrobenzamide is sourced from PubChem (CID 107122177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).