(1R,7R)-7-(2-fluoroethyl)-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

C24H31FN2O — CID 137435860

IUPAC(1R,7R)-7-(2-fluoroethyl)-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILES[H]N=C1CCC(NC(=O)C23CC4C[C@](c5ccccc5)(C2)C[C@@]3(CCF)C4)CC1
InChIInChI=1S/C24H31FN2O/c25-11-10-23-13-17-12-22(15-23,18-4-2-1-3-5-18)16-24(23,14-17)21(28)27-20-8-6-19(26)7-9-20/h1-5,17,20,26H,6-16H2,(H,27,28)/b26-19-/t17?,20?,22-,23-,24?/m1/s1
InChIKeyUEUSHPBKPFYYBZ-CSFVDEGSSA-N
MW382.52 g/mol
LogP4.94
Rot. Bonds5

About (1R,7R)-7-(2-fluoroethyl)-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

(1R,7R)-7-(2-fluoroethyl)-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 137435860) has the molecular formula C24H31FN2O and a molecular weight of 382.52 g/mol. Its IUPAC name is (1R,7R)-7-(2-fluoroethyl)-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,7R)-7-(2-fluoroethyl)-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID137435860
Molecular FormulaC24H31FN2O
Molecular Weight382.52 g/mol
Exact Mass382.24
IUPAC Name(1R,7R)-7-(2-fluoroethyl)-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILES[H]N=C1CCC(NC(=O)C23CC4C[C@](c5ccccc5)(C2)C[C@@]3(CCF)C4)CC1
InChIInChI=1S/C24H31FN2O/c25-11-10-23-13-17-12-22(15-23,18-4-2-1-3-5-18)16-24(23,14-17)21(28)27-20-8-6-19(26)7-9-20/h1-5,17,20,26H,6-16H2,(H,27,28)/b26-19-/t17?,20?,22-,23-,24?/m1/s1
InChIKeyUEUSHPBKPFYYBZ-CSFVDEGSSA-N
XLogP4.94
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 166908964
(1R,7R)-7-(2-fluoroethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 137436221
(1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 162525935
(1R,7R)-7-(2-fluoroethyl)-1-phenyl-N-piperazin-1-yltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 166908862
(1R,7R)-7-(2-chloroethyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 137436151
(3S,5R)-N-(4-aminocyclohexyl)-3-(2-fluoroethyl)-5-phenyladamantane-1-carboxamide
CID 137436155
methyl 7-[(4-aminocyclohexyl)carbamoyl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxylate
CID 130269040
(3S,5S)-3-(fluoromethyl)-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide
CID 137435864
(7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 142519787
N-[4-(aminomethyl)cyclohexyl]-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 142519882
N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 152871733
fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 162754729

Frequently Asked Questions

What is the IUPAC name of (1R,7R)-7-(2-fluoroethyl)-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of (1R,7R)-7-(2-fluoroethyl)-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 137435860) is (1R,7R)-7-(2-fluoroethyl)-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for (1R,7R)-7-(2-fluoroethyl)-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for (1R,7R)-7-(2-fluoroethyl)-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is [H]N=C1CCC(NC(=O)C23CC4C[C@](c5ccccc5)(C2)C[C@@]3(CCF)C4)CC1.
What is the InChIKey of (1R,7R)-7-(2-fluoroethyl)-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is UEUSHPBKPFYYBZ-CSFVDEGSSA-N. The full InChI is InChI=1S/C24H31FN2O/c25-11-10-23-13-17-12-22(15-23,18-4-2-1-3-5-18)16-24(23,14-17)21(28)27-20-8-6-19(26)7-9-20/h1-5,17,20,26H,6-16H2,(H,27,28)/b26-19-/t17?,20?,22-,23-,24?/m1/s1.
What are the key properties of (1R,7R)-7-(2-fluoroethyl)-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
(1R,7R)-7-(2-fluoroethyl)-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 382.52 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R)-7-(2-fluoroethyl)-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 137435860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).