4-fluoro-2-methoxy-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide

C23H27FN2O2 — CID 68942875

IUPAC4-fluoro-2-methoxy-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide
SMILESCOc1cc(F)ccc1C(=O)NC(c1ccccc1)C12CCC(CC1)CN2C
InChIInChI=1S/C23H27FN2O2/c1-26-15-16-10-12-23(26,13-11-16)21(17-6-4-3-5-7-17)25-22(27)19-9-8-18(24)14-20(19)28-2/h3-9,14,16,21H,10-13,15H2,1-2H3,(H,25,27)
InChIKeyYFKGFFYPNALIGK-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.18
Rot. Bonds5

About 4-fluoro-2-methoxy-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide

4-fluoro-2-methoxy-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide (PubChem CID 68942875) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-methoxy-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide
PubChem CID68942875
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name4-fluoro-2-methoxy-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide
SMILESCOc1cc(F)ccc1C(=O)NC(c1ccccc1)C12CCC(CC1)CN2C
InChIInChI=1S/C23H27FN2O2/c1-26-15-16-10-12-23(26,13-11-16)21(17-6-4-3-5-7-17)25-22(27)19-9-8-18(24)14-20(19)28-2/h3-9,14,16,21H,10-13,15H2,1-2H3,(H,25,27)
InChIKeyYFKGFFYPNALIGK-UHFFFAOYSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide?
The IUPAC name of 4-fluoro-2-methoxy-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide (CID 68942875) is 4-fluoro-2-methoxy-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 4-fluoro-2-methoxy-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide?
The canonical SMILES for 4-fluoro-2-methoxy-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide is COc1cc(F)ccc1C(=O)NC(c1ccccc1)C12CCC(CC1)CN2C.
What is the InChIKey of 4-fluoro-2-methoxy-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide?
The InChIKey is YFKGFFYPNALIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-26-15-16-10-12-23(26,13-11-16)21(17-6-4-3-5-7-17)25-22(27)19-9-8-18(24)14-20(19)28-2/h3-9,14,16,21H,10-13,15H2,1-2H3,(H,25,27).
What are the key properties of 4-fluoro-2-methoxy-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide?
4-fluoro-2-methoxy-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide has a molecular weight of 382.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 68942875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).