3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide

C12H13F2N3O3 — CID 81310802

IUPAC3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2c(F)cc(F)cc2[N+](=O)[O-])C1
InChIInChI=1S/C12H13F2N3O3/c13-7-4-9(14)11(10(5-7)17(19)20)16-12(18)6-1-2-8(15)3-6/h4-6,8H,1-3,15H2,(H,16,18)
InChIKeyYJTOBPQWPDXYRR-UHFFFAOYSA-N
MW285.25 g/mol
LogP1.94
Rot. Bonds3

About 3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide

3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide (PubChem CID 81310802) has the molecular formula C12H13F2N3O3 and a molecular weight of 285.25 g/mol. Its IUPAC name is 3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide
PubChem CID81310802
Molecular FormulaC12H13F2N3O3
Molecular Weight285.25 g/mol
Exact Mass285.09
IUPAC Name3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2c(F)cc(F)cc2[N+](=O)[O-])C1
InChIInChI=1S/C12H13F2N3O3/c13-7-4-9(14)11(10(5-7)17(19)20)16-12(18)6-1-2-8(15)3-6/h4-6,8H,1-3,15H2,(H,16,18)
InChIKeyYJTOBPQWPDXYRR-UHFFFAOYSA-N
XLogP1.94
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 51.94
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

3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide
CID 66010185
N-(2,4-difluoro-6-nitrophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81308396
4-amino-N-(2,4-difluoro-5-nitrophenyl)cyclohexane-1-carboxamide
CID 60850684
2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 81310994
N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
CID 81313213
2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309738
3-amino-N-(2-hydroxy-6-nitrophenyl)cyclohexane-1-carboxamide
CID 107681022
3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide
CID 63042162
3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide
CID 107641644
2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate
CID 81312067
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119764593

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide (CID 81310802) is 3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2c(F)cc(F)cc2[N+](=O)[O-])C1.
What is the InChIKey of 3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide?
The InChIKey is YJTOBPQWPDXYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O3/c13-7-4-9(14)11(10(5-7)17(19)20)16-12(18)6-1-2-8(15)3-6/h4-6,8H,1-3,15H2,(H,16,18).
What are the key properties of 3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide?
3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide has a molecular weight of 285.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 81310802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).