4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide

C23H25FN2O — CID 3124974

IUPAC4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide
SMILESCN1C2C=C(N(CCc3ccccc3)C(=O)c3ccc(F)cc3)CC1CC2
InChIInChI=1S/C23H25FN2O/c1-25-20-11-12-21(25)16-22(15-20)26(14-13-17-5-3-2-4-6-17)23(27)18-7-9-19(24)10-8-18/h2-10,15,20-21H,11-14,16H2,1H3
InChIKeyQNDXPYLMSWGOGQ-UHFFFAOYSA-N
MW364.46 g/mol
LogP4.26
Rot. Bonds5

About 4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide

4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide (PubChem CID 3124974) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is 4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide
PubChem CID3124974
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC Name4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide
SMILESCN1C2C=C(N(CCc3ccccc3)C(=O)c3ccc(F)cc3)CC1CC2
InChIInChI=1S/C23H25FN2O/c1-25-20-11-12-21(25)16-22(15-20)26(14-13-17-5-3-2-4-6-17)23(27)18-7-9-19(24)10-8-18/h2-10,15,20-21H,11-14,16H2,1H3
InChIKeyQNDXPYLMSWGOGQ-UHFFFAOYSA-N
XLogP4.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide with MolForge

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Related Compounds

N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
N,N-dicyclohexyl-2,6-difluorobenzamide
CID 875986
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide hydrochloride
CID 10019926
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide hydrochloride
CID 14783892
4-[(R)-(S)-8-Aza-bicyclo[3.2.1]oct-(3Z)-ylidene-phenyl-methyl]-N,N-diethyl-benzamide
CID 9820950
N,N-diethyl-4-[phenyl-[(1R,5S)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
CID 10093250
N,N-Diethyl-4-[(8-phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-phenyl-methyl]-benzamide
CID 10205965
N,N-Diethyl-4-{(seqTrans)-phenyl[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl}benzamide
CID 11271551
N-[(Z)-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 1724396
N,N-dibenzyl-2,6-difluorobenzamide
CID 2321718
N-cyclohexyl-N-methyl-4-phenylbenzamide
CID 1226772

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide (CID 3124974) is 4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide is CN1C2C=C(N(CCc3ccccc3)C(=O)c3ccc(F)cc3)CC1CC2.
What is the InChIKey of 4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide?
The InChIKey is QNDXPYLMSWGOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O/c1-25-20-11-12-21(25)16-22(15-20)26(14-13-17-5-3-2-4-6-17)23(27)18-7-9-19(24)10-8-18/h2-10,15,20-21H,11-14,16H2,1H3.
What are the key properties of 4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide?
4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide has a molecular weight of 364.46 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 3124974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).