4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline

C13H17FN2O3 — CID 103591652

IUPAC4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline
SMILESCOC1CCCC1Nc1cc(C)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H17FN2O3/c1-8-6-11(12(16(17)18)7-9(8)14)15-10-4-3-5-13(10)19-2/h6-7,10,13,15H,3-5H2,1-2H3
InChIKeyWAVNSQFMBHXRIC-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.02
Rot. Bonds4

About 4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline

4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline (PubChem CID 103591652) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline
PubChem CID103591652
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline
SMILESCOC1CCCC1Nc1cc(C)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H17FN2O3/c1-8-6-11(12(16(17)18)7-9(8)14)15-10-4-3-5-13(10)19-2/h6-7,10,13,15H,3-5H2,1-2H3
InChIKeyWAVNSQFMBHXRIC-UHFFFAOYSA-N
XLogP3.02
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.02
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'}

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Related Compounds

4-fluoro-5-[(2-methoxycyclopentyl)amino]-2-nitrobenzoic acid
CID 62087189
N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline
CID 103594201
N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline
CID 62589032
4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline
CID 43785721
N-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine
CID 103591737
N-cyclopent-3-en-1-yl-4-fluoro-5-methyl-2-nitroaniline
CID 103591889
N-(4,4-dimethylcyclohexyl)-4-fluoro-5-methyl-2-nitroaniline
CID 103591733
N-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline
CID 103591798
2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide
CID 104699356
5-bromo-4-fluoro-N-(2-methylcyclopentyl)-2-nitroaniline
CID 116737141
2-N-(4-fluoro-5-methoxy-2-nitrophenyl)cyclohexane-1,2-diamine
CID 63597632
2,4,5-trifluoro-N-(2-methoxycyclohexyl)aniline
CID 62815537

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline?
The IUPAC name of 4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline (CID 103591652) is 4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline.
What is the SMILES notation for 4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline?
The canonical SMILES for 4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline is COC1CCCC1Nc1cc(C)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline?
The InChIKey is WAVNSQFMBHXRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-8-6-11(12(16(17)18)7-9(8)14)15-10-4-3-5-13(10)19-2/h6-7,10,13,15H,3-5H2,1-2H3.
What are the key properties of 4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline?
4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline has a molecular weight of 268.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline is sourced from PubChem (CID 103591652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).