N-(3,3-difluorocyclobutyl)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide

C19H27F2NO — CID 175801025

IUPACN-(3,3-difluorocyclobutyl)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide
SMILESCC1=CC=CC(C)(C2(C(=O)NC3CC(F)(F)C3)CCCCC2)C1
InChIInChI=1S/C19H27F2NO/c1-14-7-6-8-17(2,11-14)18(9-4-3-5-10-18)16(23)22-15-12-19(20,21)13-15/h6-8,15H,3-5,9-13H2,1-2H3,(H,22,23)
InChIKeyDTGALTANRZHOLN-UHFFFAOYSA-N
MW323.43 g/mol
LogP4.76
Rot. Bonds3

About N-(3,3-difluorocyclobutyl)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide

N-(3,3-difluorocyclobutyl)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide (PubChem CID 175801025) has the molecular formula C19H27F2NO and a molecular weight of 323.43 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide
PubChem CID175801025
Molecular FormulaC19H27F2NO
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC NameN-(3,3-difluorocyclobutyl)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide
SMILESCC1=CC=CC(C)(C2(C(=O)NC3CC(F)(F)C3)CCCCC2)C1
InChIInChI=1S/C19H27F2NO/c1-14-7-6-8-17(2,11-14)18(9-4-3-5-10-18)16(23)22-15-12-19(20,21)13-15/h6-8,15H,3-5,9-13H2,1-2H3,(H,22,23)
InChIKeyDTGALTANRZHOLN-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3,3-difluorocyclobutyl)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

(1R,2S,5R)-N-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 132235713
(Z)-N-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]octadec-9-enamide
CID 139365574
9-[4-(3-aminopentylamino)butyl]-N-(2,2,2-trifluoroethyl)-3,4,4b,8a-tetrahydrofluorene-9-carboxamide
CID 141849310
6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide
CID 154665755
N-[(R)-cyclohexa-1,3-dien-1-yl(cyclopropyl)methyl]-2-(3,3-difluorocyclobutyl)acetamide
CID 171777758
N-(3,3-difluorocyclobutyl)-1-(4-hydroxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide
CID 176280912
(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
2-ethyl-2-(trifluoromethyl)-N-[3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclobutyl]pentanamide
CID 177969823
2-(4-methylcyclohex-3-en-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 178633616
N-cyclohexyl-2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)acetamide
CID 101897235
(3E,5Z)-2-(cyclohexen-1-yl)-2-[3-(ethylamino)propyl]-3,4-dimethyl-N-(2,2,2-trifluoroethyl)octa-3,5,7-trienamide
CID 141849327
(3E,5Z)-N-(2,2-difluoroethyl)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hexyl-3-methylocta-3,5,7-trienamide
CID 141849595

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide (CID 175801025) is N-(3,3-difluorocyclobutyl)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide is CC1=CC=CC(C)(C2(C(=O)NC3CC(F)(F)C3)CCCCC2)C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide?
The InChIKey is DTGALTANRZHOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2NO/c1-14-7-6-8-17(2,11-14)18(9-4-3-5-10-18)16(23)22-15-12-19(20,21)13-15/h6-8,15H,3-5,9-13H2,1-2H3,(H,22,23).
What are the key properties of N-(3,3-difluorocyclobutyl)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide?
N-(3,3-difluorocyclobutyl)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide has a molecular weight of 323.43 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 175801025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).