3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide

C13H16FN3O4 — CID 79646685

IUPAC3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(Oc2ccc([N+](=O)[O-])cc2F)C1
InChIInChI=1S/C13H16FN3O4/c1-16-13(12(15)18)5-4-9(7-13)21-11-3-2-8(17(19)20)6-10(11)14/h2-3,6,9,16H,4-5,7H2,1H3,(H2,15,18)
InChIKeyVMRYCHOOPKSWIE-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.11
Rot. Bonds5

About 3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide

3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide (PubChem CID 79646685) has the molecular formula C13H16FN3O4 and a molecular weight of 297.29 g/mol. Its IUPAC name is 3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide
PubChem CID79646685
Molecular FormulaC13H16FN3O4
Molecular Weight297.29 g/mol
Exact Mass297.11
IUPAC Name3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(Oc2ccc([N+](=O)[O-])cc2F)C1
InChIInChI=1S/C13H16FN3O4/c1-16-13(12(15)18)5-4-9(7-13)21-11-3-2-8(17(19)20)6-10(11)14/h2-3,6,9,16H,4-5,7H2,1H3,(H2,15,18)
InChIKeyVMRYCHOOPKSWIE-UHFFFAOYSA-N
XLogP1.11
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide
CID 79644677
1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide
CID 79649110
1-amino-3-(2-fluoro-4-nitrophenoxy)cyclopentane-1-carboxylic acid
CID 79649266
methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate
CID 79646437
3-(3-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79646715
1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide
CID 79649389
3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 79637427
3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide
CID 79646943
methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79648683
1-(methylamino)-3-(4-nitrophenyl)sulfanylcyclohexane-1-carboxamide
CID 79635583
3-(2-fluoro-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 141181782
1-(methylamino)-3-(2-methyl-3-nitrophenoxy)cyclopentane-1-carboxylic acid
CID 79646675

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide (CID 79646685) is 3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide is CNC1(C(N)=O)CCC(Oc2ccc([N+](=O)[O-])cc2F)C1.
What is the InChIKey of 3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide?
The InChIKey is VMRYCHOOPKSWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O4/c1-16-13(12(15)18)5-4-9(7-13)21-11-3-2-8(17(19)20)6-10(11)14/h2-3,6,9,16H,4-5,7H2,1H3,(H2,15,18).
What are the key properties of 3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide?
3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79646685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).