N-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide

C17H24FNO — CID 123688474

IUPACN-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide
SMILESCC1(C)CCC(NC(=O)C2=CC(F)=CCCC=C2)CC1
InChIInChI=1S/C17H24FNO/c1-17(2)10-8-15(9-11-17)19-16(20)13-6-4-3-5-7-14(18)12-13/h4,6-7,12,15H,3,5,8-11H2,1-2H3,(H,19,20)
InChIKeyRZHMEIWINMMPCT-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.20
Rot. Bonds2

About N-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide

N-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide (PubChem CID 123688474) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide
PubChem CID123688474
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC NameN-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide
SMILESCC1(C)CCC(NC(=O)C2=CC(F)=CCCC=C2)CC1
InChIInChI=1S/C17H24FNO/c1-17(2)10-8-15(9-11-17)19-16(20)13-6-4-3-5-7-14(18)12-13/h4,6-7,12,15H,3,5,8-11H2,1-2H3,(H,19,20)
InChIKeyRZHMEIWINMMPCT-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2E,4E,6E,8E)-N-cyclohexyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 56673301
(2E,5E)-N-[4-[[[(2S)-1,1-difluoropropan-2-yl]amino]methyl]cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide
CID 129276506
(2E)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide
CID 144683872
(2E)-N-cyclohex-2-en-1-yl-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 144683892
(2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 144683902
(2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,3,3,6,6-pentamethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 169177743
CID 169177764
CID 169177764
4-amino-N-[(4S)-2,4-dimethyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]cyclohexa-1,5-diene-1-carboxamide
CID 173481339
(2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 176773559
4-fluoro-N-(4-propan-2-ylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide
CID 164558438
N-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide
CID 70944232
4-amino-N-(1-cyclobutyl-3-methylbutyl)cyclohexa-1,5-diene-1-carboxamide
CID 70974431

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide (CID 123688474) is N-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide is CC1(C)CCC(NC(=O)C2=CC(F)=CCCC=C2)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide?
The InChIKey is RZHMEIWINMMPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-17(2)10-8-15(9-11-17)19-16(20)13-6-4-3-5-7-14(18)12-13/h4,6-7,12,15H,3,5,8-11H2,1-2H3,(H,19,20).
What are the key properties of N-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide?
N-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide has a molecular weight of 277.38 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide is sourced from PubChem (CID 123688474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).