2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide

C13H16FN3O3 — CID 82768378

IUPAC2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc([N+](=O)[O-])c(F)c2)CCCC1N
InChIInChI=1S/C13H16FN3O3/c1-13(6-2-3-11(13)15)12(18)16-8-4-5-10(17(19)20)9(14)7-8/h4-5,7,11H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyHECDERNDJHCLMZ-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.19
Rot. Bonds3

About 2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide

2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 82768378) has the molecular formula C13H16FN3O3 and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide
PubChem CID82768378
Molecular FormulaC13H16FN3O3
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC Name2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc([N+](=O)[O-])c(F)c2)CCCC1N
InChIInChI=1S/C13H16FN3O3/c1-13(6-2-3-11(13)15)12(18)16-8-4-5-10(17(19)20)9(14)7-8/h4-5,7,11H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyHECDERNDJHCLMZ-UHFFFAOYSA-N
XLogP2.19
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.19
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-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765588
2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82763741
2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide
CID 82765923
2-amino-1-methyl-N-(4-methyl-3-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 82759601
2-amino-1-methyl-N-[4-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 82763880
2-amino-N-(4-bromo-2,5-difluorophenyl)-1-methylcyclopentane-1-carboxamide
CID 107611664
methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate
CID 82764559
2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765869
2-amino-N-(1H-indazol-5-yl)-1-methylcyclopentane-1-carboxamide
CID 82765921
2-amino-1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 82764078
2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide
CID 114328999
2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82763771

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide (CID 82768378) is 2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide is CC1(C(=O)Nc2ccc([N+](=O)[O-])c(F)c2)CCCC1N.
What is the InChIKey of 2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is HECDERNDJHCLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3/c1-13(6-2-3-11(13)15)12(18)16-8-4-5-10(17(19)20)9(14)7-8/h4-5,7,11H,2-3,6,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide?
2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 281.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82768378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).