2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid

C13H13FN2O5 — CID 64814525

IUPAC2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C13H13FN2O5/c14-10-5-4-7(16(20)21)6-9(10)12(17)15-11-3-1-2-8(11)13(18)19/h4-6,8,11H,1-3H2,(H,15,17)(H,18,19)
InChIKeyFCQABMHELHWOIF-UHFFFAOYSA-N
MW296.25 g/mol
LogP1.72
Rot. Bonds4

About 2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid

2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64814525) has the molecular formula C13H13FN2O5 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64814525
Molecular FormulaC13H13FN2O5
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C13H13FN2O5/c14-10-5-4-7(16(20)21)6-9(10)12(17)15-11-3-1-2-8(11)13(18)19/h4-6,8,11H,1-3H2,(H,15,17)(H,18,19)
InChIKeyFCQABMHELHWOIF-UHFFFAOYSA-N
XLogP1.72
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 51.72
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

2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813271
2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide
CID 43377638
2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide
CID 114545572
2-[(3-fluoro-4-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813719
2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813950
2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid
CID 120532977
2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]cyclooctane-1-carboxylic acid
CID 120532905
2-(2-bromo-4-nitroanilino)cyclopentane-1-carboxylic acid
CID 64818204
2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid
CID 62694999
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
N'-acetyl-2-fluoro-5-nitrobenzohydrazide
CID 61216707
N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide
CID 114189376

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 64814525) is 2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCCC1C(=O)O)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is FCQABMHELHWOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O5/c14-10-5-4-7(16(20)21)6-9(10)12(17)15-11-3-1-2-8(11)13(18)19/h4-6,8,11H,1-3H2,(H,15,17)(H,18,19).
What are the key properties of 2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid?
2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 296.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64814525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).