N-[(2,6-difluorophenyl)methyl]-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide

C24H28F2N2O2 — CID 67183703

IUPACN-[(2,6-difluorophenyl)methyl]-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide
SMILESCC(=O)N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(O)c1)C2)Cc1c(F)cccc1F
InChIInChI=1S/C24H28F2N2O2/c1-16(29)27(15-22-23(25)6-3-7-24(22)26)10-11-28-19-8-9-20(28)13-18(12-19)17-4-2-5-21(30)14-17/h2-7,14,18-20,30H,8-13,15H2,1H3/t18?,19-,20+
InChIKeyRAZYOIFBXMSUEN-IHWFROFDSA-N
MW414.50 g/mol
LogP4.43
Rot. Bonds6

About N-[(2,6-difluorophenyl)methyl]-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide

N-[(2,6-difluorophenyl)methyl]-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide (PubChem CID 67183703) has the molecular formula C24H28F2N2O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide
PubChem CID67183703
Molecular FormulaC24H28F2N2O2
Molecular Weight414.50 g/mol
Exact Mass414.21
IUPAC NameN-[(2,6-difluorophenyl)methyl]-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide
SMILESCC(=O)N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(O)c1)C2)Cc1c(F)cccc1F
InChIInChI=1S/C24H28F2N2O2/c1-16(29)27(15-22-23(25)6-3-7-24(22)26)10-11-28-19-8-9-20(28)13-18(12-19)17-4-2-5-21(30)14-17/h2-7,14,18-20,30H,8-13,15H2,1H3/t18?,19-,20+
InChIKeyRAZYOIFBXMSUEN-IHWFROFDSA-N
XLogP4.43
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide (CID 67183703) is N-[(2,6-difluorophenyl)methyl]-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide is CC(=O)N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(O)c1)C2)Cc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide?
The InChIKey is RAZYOIFBXMSUEN-IHWFROFDSA-N. The full InChI is InChI=1S/C24H28F2N2O2/c1-16(29)27(15-22-23(25)6-3-7-24(22)26)10-11-28-19-8-9-20(28)13-18(12-19)17-4-2-5-21(30)14-17/h2-7,14,18-20,30H,8-13,15H2,1H3/t18?,19-,20+.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide?
N-[(2,6-difluorophenyl)methyl]-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide has a molecular weight of 414.50 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide is sourced from PubChem (CID 67183703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).