2-[1-(2-fluoro-4-nitroanilino)cyclopentyl]acetic acid

C13H15FN2O4 — CID 64700773

IUPAC2-[1-(2-fluoro-4-nitroanilino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(Nc2ccc([N+](=O)[O-])cc2F)CCCC1
InChIInChI=1S/C13H15FN2O4/c14-10-7-9(16(19)20)3-4-11(10)15-13(8-12(17)18)5-1-2-6-13/h3-4,7,15H,1-2,5-6,8H2,(H,17,18)
InChIKeyFKRSMADSOBOEOG-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.93
Rot. Bonds5

About 2-[1-(2-fluoro-4-nitroanilino)cyclopentyl]acetic acid

2-[1-(2-fluoro-4-nitroanilino)cyclopentyl]acetic acid (PubChem CID 64700773) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-[1-(2-fluoro-4-nitroanilino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluoro-4-nitroanilino)cyclopentyl]acetic acid
PubChem CID64700773
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name2-[1-(2-fluoro-4-nitroanilino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(Nc2ccc([N+](=O)[O-])cc2F)CCCC1
InChIInChI=1S/C13H15FN2O4/c14-10-7-9(16(19)20)3-4-11(10)15-13(8-12(17)18)5-1-2-6-13/h3-4,7,15H,1-2,5-6,8H2,(H,17,18)
InChIKeyFKRSMADSOBOEOG-UHFFFAOYSA-N
XLogP2.93
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.93
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

[1-(2-fluoro-4-nitroanilino)-4-methylcyclohexyl]methanol
CID 62526018
1-[(2-fluoro-4-nitroanilino)methyl]cyclopentane-1-carboxylic acid
CID 115433256
2-[1-(4-nitroanilino)cyclobutyl]acetic acid
CID 79845223
2-[1-(4-methyl-2-nitroanilino)cyclohexyl]acetic acid
CID 64700603
1-[(2-fluoro-4-nitroanilino)methyl]cyclohexan-1-ol
CID 62404749
3-(2-fluoro-4-nitroanilino)-3-methylbutanoic acid
CID 64700785
N-[1-(aminomethyl)cyclopentyl]-2-fluoro-4-nitrobenzamide;hydrochloride
CID 119567681
2-(2-fluoro-4-nitroanilino)-2-methylpropanoic acid
CID 61265723
[1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol
CID 103828751
2-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-4-nitrobenzenesulfonamide
CID 104600274
2-[1-[(2-iodo-5-nitrobenzoyl)amino]cyclobutyl]acetic acid
CID 103790767
2-[1-(5-chloro-2-methyl-4-nitroanilino)cyclopentyl]acetic acid
CID 115555425

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-4-nitroanilino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(2-fluoro-4-nitroanilino)cyclopentyl]acetic acid (CID 64700773) is 2-[1-(2-fluoro-4-nitroanilino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluoro-4-nitroanilino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(2-fluoro-4-nitroanilino)cyclopentyl]acetic acid is O=C(O)CC1(Nc2ccc([N+](=O)[O-])cc2F)CCCC1.
What is the InChIKey of 2-[1-(2-fluoro-4-nitroanilino)cyclopentyl]acetic acid?
The InChIKey is FKRSMADSOBOEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c14-10-7-9(16(19)20)3-4-11(10)15-13(8-12(17)18)5-1-2-6-13/h3-4,7,15H,1-2,5-6,8H2,(H,17,18).
What are the key properties of 2-[1-(2-fluoro-4-nitroanilino)cyclopentyl]acetic acid?
2-[1-(2-fluoro-4-nitroanilino)cyclopentyl]acetic acid has a molecular weight of 282.27 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-4-nitroanilino)cyclopentyl]acetic acid is sourced from PubChem (CID 64700773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).