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

C13H14F4N2O — CID 107641644

IUPAC3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2c(F)c(F)cc(F)c2F)C1
InChIInChI=1S/C13H14F4N2O/c14-8-5-9(15)11(17)12(10(8)16)19-13(20)6-2-1-3-7(18)4-6/h5-7H,1-4,18H2,(H,19,20)
InChIKeyPXSQLAGLAUTUGV-UHFFFAOYSA-N
MW290.26 g/mol
LogP2.70
Rot. Bonds2

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

3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide (PubChem CID 107641644) has the molecular formula C13H14F4N2O and a molecular weight of 290.26 g/mol. Its IUPAC name is 3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide
PubChem CID107641644
Molecular FormulaC13H14F4N2O
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC Name3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2c(F)c(F)cc(F)c2F)C1
InChIInChI=1S/C13H14F4N2O/c14-8-5-9(15)11(17)12(10(8)16)19-13(20)6-2-1-3-7(18)4-6/h5-7H,1-4,18H2,(H,19,20)
InChIKeyPXSQLAGLAUTUGV-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 52.70
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

3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119707997
4-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide
CID 107641715
3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide
CID 63042160
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119670922
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
N-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 107646142
3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 63041984
3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 119725618
3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119675270
3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706250
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide (CID 107641644) is 3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2c(F)c(F)cc(F)c2F)C1.
What is the InChIKey of 3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is PXSQLAGLAUTUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O/c14-8-5-9(15)11(17)12(10(8)16)19-13(20)6-2-1-3-7(18)4-6/h5-7H,1-4,18H2,(H,19,20).
What are the key properties of 3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide?
3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 290.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107641644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).