3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide

C12H14FN3O3 — CID 66010185

IUPAC3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C12H14FN3O3/c13-10-4-3-9(6-11(10)16(18)19)15-12(17)7-1-2-8(14)5-7/h3-4,6-8H,1-2,5,14H2,(H,15,17)
InChIKeyAAGGYNXRWREGOY-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.80
Rot. Bonds3

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

3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide (PubChem CID 66010185) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide
PubChem CID66010185
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C12H14FN3O3/c13-10-4-3-9(6-11(10)16(18)19)15-12(17)7-1-2-8(14)5-7/h3-4,6-8H,1-2,5,14H2,(H,15,17)
InChIKeyAAGGYNXRWREGOY-UHFFFAOYSA-N
XLogP1.80
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.80
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-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide
CID 81310802
3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119709839
cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide
CID 133116598
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
(1S,2S,4S)-N-(4-fluoro-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7065620
(1R,2R,4S)-N-(4-fluoro-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 737724
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 66009570
4-amino-N-(2,4-difluoro-5-nitrophenyl)cyclohexane-1-carboxamide
CID 60850684
N-(4-fluoro-3-nitrophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 146125696
4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478520

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide (CID 66010185) is 3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1.
What is the InChIKey of 3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide?
The InChIKey is AAGGYNXRWREGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-10-4-3-9(6-11(10)16(18)19)15-12(17)7-1-2-8(14)5-7/h3-4,6-8H,1-2,5,14H2,(H,15,17).
What are the key properties of 3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide?
3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide has a molecular weight of 267.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66010185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).