4-fluoro-N-[(1R,5S)-8-[3-(4-methoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

C24H27FN2O3 — CID 91912162

IUPAC4-fluoro-N-[(1R,5S)-8-[3-(4-methoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCOc1ccc(CCC(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2ccc(F)cc2)C3)cc1
InChIInChI=1S/C24H27FN2O3/c1-30-22-11-2-16(3-12-22)4-13-23(28)27-20-9-10-21(27)15-19(14-20)26-24(29)17-5-7-18(25)8-6-17/h2-3,5-8,11-12,19-21H,4,9-10,13-15H2,1H3,(H,26,29)/t19?,20-,21+
InChIKeyRXGJYSQZQBELNY-SEJPIABJSA-N
MW410.49 g/mol
LogP3.72
Rot. Bonds6

About 4-fluoro-N-[(1R,5S)-8-[3-(4-methoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

4-fluoro-N-[(1R,5S)-8-[3-(4-methoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide (PubChem CID 91912162) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 4-fluoro-N-[(1R,5S)-8-[3-(4-methoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R,5S)-8-[3-(4-methoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
PubChem CID91912162
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name4-fluoro-N-[(1R,5S)-8-[3-(4-methoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCOc1ccc(CCC(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2ccc(F)cc2)C3)cc1
InChIInChI=1S/C24H27FN2O3/c1-30-22-11-2-16(3-12-22)4-13-23(28)27-20-9-10-21(27)15-19(14-20)26-24(29)17-5-7-18(25)8-6-17/h2-3,5-8,11-12,19-21H,4,9-10,13-15H2,1H3,(H,26,29)/t19?,20-,21+
InChIKeyRXGJYSQZQBELNY-SEJPIABJSA-N
XLogP3.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 91912163
1-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-3-(4-methoxyphenyl)propan-1-one
CID 80670264
1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-(4-methoxyphenyl)propan-1-one
CID 122255237
N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 156610369
3-(4-methoxyphenyl)-1-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 95985961
3-[(4-fluorobenzoyl)amino]-N-(4-methoxy-2-methylphenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 156610191
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 42345548
N-[8-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 156610410
ethyl [4-[[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108930466
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108935670
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
N-[(1S,5R)-8-(2,3-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 91924414

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R,5S)-8-[3-(4-methoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(1R,5S)-8-[3-(4-methoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide (CID 91912162) is 4-fluoro-N-[(1R,5S)-8-[3-(4-methoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1R,5S)-8-[3-(4-methoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1R,5S)-8-[3-(4-methoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is COc1ccc(CCC(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2ccc(F)cc2)C3)cc1.
What is the InChIKey of 4-fluoro-N-[(1R,5S)-8-[3-(4-methoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The InChIKey is RXGJYSQZQBELNY-SEJPIABJSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-30-22-11-2-16(3-12-22)4-13-23(28)27-20-9-10-21(27)15-19(14-20)26-24(29)17-5-7-18(25)8-6-17/h2-3,5-8,11-12,19-21H,4,9-10,13-15H2,1H3,(H,26,29)/t19?,20-,21+.
What are the key properties of 4-fluoro-N-[(1R,5S)-8-[3-(4-methoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
4-fluoro-N-[(1R,5S)-8-[3-(4-methoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide has a molecular weight of 410.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R,5S)-8-[3-(4-methoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is sourced from PubChem (CID 91912162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).