1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide

C12H12F4N2O — CID 107641668

IUPAC1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2c(F)c(F)cc(F)c2F)CCCC1
InChIInChI=1S/C12H12F4N2O/c13-6-5-7(14)9(16)10(8(6)15)18-11(19)12(17)3-1-2-4-12/h5H,1-4,17H2,(H,18,19)
InChIKeyPJDIIAQMTJRYDF-UHFFFAOYSA-N
MW276.23 g/mol
LogP2.45
Rot. Bonds2

About 1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide

1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide (PubChem CID 107641668) has the molecular formula C12H12F4N2O and a molecular weight of 276.23 g/mol. Its IUPAC name is 1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide
PubChem CID107641668
Molecular FormulaC12H12F4N2O
Molecular Weight276.23 g/mol
Exact Mass276.09
IUPAC Name1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2c(F)c(F)cc(F)c2F)CCCC1
InChIInChI=1S/C12H12F4N2O/c13-6-5-7(14)9(16)10(8(6)15)18-11(19)12(17)3-1-2-4-12/h5H,1-4,17H2,(H,18,19)
InChIKeyPJDIIAQMTJRYDF-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide
CID 62816762
1-amino-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1-carboxamide
CID 82818742
1-amino-N-(2-chloro-4,6-difluorophenyl)cyclopentane-1-carboxamide
CID 83087463
1-amino-N-(2,6-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 83079201
1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide
CID 43168327
1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
CID 107574361
1-carbamothioyl-N-(2,3,5,6-tetrafluorophenyl)cyclopropane-1-carboxamide
CID 107641986
1-amino-N-(3,5-difluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119275249
1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 107574452
1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide
CID 54925189
1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide
CID 60867766
1-amino-N-(2,4-difluoro-5-nitrophenyl)cyclohexane-1-carboxamide
CID 43709912

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide (CID 107641668) is 1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide is NC1(C(=O)Nc2c(F)c(F)cc(F)c2F)CCCC1.
What is the InChIKey of 1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is PJDIIAQMTJRYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O/c13-6-5-7(14)9(16)10(8(6)15)18-11(19)12(17)3-1-2-4-12/h5H,1-4,17H2,(H,18,19).
What are the key properties of 1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide?
1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 276.23 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 107641668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).