N-(2-fluorophenyl)-8-[(4-thiophen-2-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide

C24H24FN3OS — CID 134790737

IUPACN-(2-fluorophenyl)-8-[(4-thiophen-2-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(Nc1ccccc1F)N1CC2CCC(C1)N2Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C24H24FN3OS/c25-21-4-1-2-5-22(21)26-24(29)27-15-19-11-12-20(16-27)28(19)14-17-7-9-18(10-8-17)23-6-3-13-30-23/h1-10,13,19-20H,11-12,14-16H2,(H,26,29)
InChIKeyVDGQDFDCCFYRBQ-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.43
Rot. Bonds4

About N-(2-fluorophenyl)-8-[(4-thiophen-2-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide

N-(2-fluorophenyl)-8-[(4-thiophen-2-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 134790737) has the molecular formula C24H24FN3OS and a molecular weight of 421.54 g/mol. Its IUPAC name is N-(2-fluorophenyl)-8-[(4-thiophen-2-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-8-[(4-thiophen-2-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
PubChem CID134790737
Molecular FormulaC24H24FN3OS
Molecular Weight421.54 g/mol
Exact Mass421.16
IUPAC NameN-(2-fluorophenyl)-8-[(4-thiophen-2-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(Nc1ccccc1F)N1CC2CCC(C1)N2Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C24H24FN3OS/c25-21-4-1-2-5-22(21)26-24(29)27-15-19-11-12-20(16-27)28(19)14-17-7-9-18(10-8-17)23-6-3-13-30-23/h1-10,13,19-20H,11-12,14-16H2,(H,26,29)
InChIKeyVDGQDFDCCFYRBQ-UHFFFAOYSA-N
XLogP5.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-fluorophenyl)-8-[(4-thiophen-2-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide with MolForge

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Related Compounds

8-[(3-cyanophenyl)methyl]-N-(2-fluorophenyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
CID 134788825
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 121154547
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 23140046
8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
CID 69225043
N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 55484909
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide
CID 89158009
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 23140532
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]benzamide
CID 69101017

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-8-[(4-thiophen-2-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-8-[(4-thiophen-2-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide (CID 134790737) is N-(2-fluorophenyl)-8-[(4-thiophen-2-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-8-[(4-thiophen-2-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-8-[(4-thiophen-2-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide is O=C(Nc1ccccc1F)N1CC2CCC(C1)N2Cc1ccc(-c2cccs2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-8-[(4-thiophen-2-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is VDGQDFDCCFYRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3OS/c25-21-4-1-2-5-22(21)26-24(29)27-15-19-11-12-20(16-27)28(19)14-17-7-9-18(10-8-17)23-6-3-13-30-23/h1-10,13,19-20H,11-12,14-16H2,(H,26,29).
What are the key properties of N-(2-fluorophenyl)-8-[(4-thiophen-2-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide?
N-(2-fluorophenyl)-8-[(4-thiophen-2-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-8-[(4-thiophen-2-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 134790737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).