4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide

C17H24F2N2O — CID 70974496

IUPAC4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NCCCCc2c(F)cccc2F)CC1
InChIInChI=1S/C17H24F2N2O/c18-15-5-3-6-16(19)14(15)4-1-2-11-21-17(22)12-7-9-13(20)10-8-12/h3,5-6,12-13H,1-2,4,7-11,20H2,(H,21,22)
InChIKeyQFPOGUUVPRGPTQ-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.92
Rot. Bonds6

About 4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide

4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide (PubChem CID 70974496) has the molecular formula C17H24F2N2O and a molecular weight of 310.39 g/mol. Its IUPAC name is 4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide
PubChem CID70974496
Molecular FormulaC17H24F2N2O
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NCCCCc2c(F)cccc2F)CC1
InChIInChI=1S/C17H24F2N2O/c18-15-5-3-6-16(19)14(15)4-1-2-11-21-17(22)12-7-9-13(20)10-8-12/h3,5-6,12-13H,1-2,4,7-11,20H2,(H,21,22)
InChIKeyQFPOGUUVPRGPTQ-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327
3-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66031268
9-amino-N-[2-(2,6-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986567
4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide
CID 106235907
N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride
CID 119783278
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]cyclopropanecarboxamide
CID 100610014
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748
3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119861519
N-[2-(2,3-difluorophenyl)ethyl]cyclopropanecarboxamide;formic acid
CID 69303286
4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115150584
4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149531
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109148357

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide (CID 70974496) is 4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide is NC1CCC(C(=O)NCCCCc2c(F)cccc2F)CC1.
What is the InChIKey of 4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide?
The InChIKey is QFPOGUUVPRGPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O/c18-15-5-3-6-16(19)14(15)4-1-2-11-21-17(22)12-7-9-13(20)10-8-12/h3,5-6,12-13H,1-2,4,7-11,20H2,(H,21,22).
What are the key properties of 4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide?
4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide has a molecular weight of 310.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 70974496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).