N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide

C22H25FN2O — CID 120883246

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H25FN2O/c23-21-19-12-13-24-14-18(19)10-11-20(21)25-22(26)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-5,10-11,16-17,24H,6-9,12-14H2,(H,25,26)
InChIKeyCTUWXNLJOMPSPW-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.38
Rot. Bonds3

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide (PubChem CID 120883246) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide
PubChem CID120883246
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H25FN2O/c23-21-19-12-13-24-14-18(19)10-11-20(21)25-22(26)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-5,10-11,16-17,24H,6-9,12-14H2,(H,25,26)
InChIKeyCTUWXNLJOMPSPW-UHFFFAOYSA-N
XLogP4.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide
CID 120883420
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclobutanecarboxamide;hydrochloride
CID 120883833
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide
CID 120882858
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-oxopiperidine-3-carboxamide
CID 120883928
1-butanoyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-4-carboxamide
CID 120881672
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide
CID 120882268
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120881024
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 120882102
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxane-2-carboxamide
CID 120882416
N-[2-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 120883994
2-(2-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120882141
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
CID 120881587

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide (CID 120883246) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide is O=C(Nc1ccc2c(c1F)CCNC2)C1CCC(c2ccccc2)CC1.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide?
The InChIKey is CTUWXNLJOMPSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-21-19-12-13-24-14-18(19)10-11-20(21)25-22(26)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-5,10-11,16-17,24H,6-9,12-14H2,(H,25,26).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide has a molecular weight of 352.45 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 120883246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).