N-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-(3-chlorophenyl)benzamide

C21H23ClN2O — CID 46891151

IUPACN-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-(3-chlorophenyl)benzamide
SMILESO=C(NCC1C[C@H]2CC[C@@H](C1)N2)c1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C21H23ClN2O/c22-16-5-3-4-15(12-16)19-6-1-2-7-20(19)21(25)23-13-14-10-17-8-9-18(11-14)24-17/h1-7,12,14,17-18,24H,8-11,13H2,(H,23,25)/t14?,17-,18+
InChIKeyLAMLYPBPRQOOOH-DODVFSASSA-N
MW354.88 g/mol
LogP4.27
Rot. Bonds4

About N-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-(3-chlorophenyl)benzamide

N-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-(3-chlorophenyl)benzamide (PubChem CID 46891151) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-(3-chlorophenyl)benzamide.

Molecular Properties

Compound NameN-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-(3-chlorophenyl)benzamide
PubChem CID46891151
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC NameN-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-(3-chlorophenyl)benzamide
SMILESO=C(NCC1C[C@H]2CC[C@@H](C1)N2)c1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C21H23ClN2O/c22-16-5-3-4-15(12-16)19-6-1-2-7-20(19)21(25)23-13-14-10-17-8-9-18(11-14)24-17/h1-7,12,14,17-18,24H,8-11,13H2,(H,23,25)/t14?,17-,18+
InChIKeyLAMLYPBPRQOOOH-DODVFSASSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-(3-chlorophenyl)benzamide?
The IUPAC name of N-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-(3-chlorophenyl)benzamide (CID 46891151) is N-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-(3-chlorophenyl)benzamide.
What is the SMILES notation for N-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-(3-chlorophenyl)benzamide?
The canonical SMILES for N-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-(3-chlorophenyl)benzamide is O=C(NCC1C[C@H]2CC[C@@H](C1)N2)c1ccccc1-c1cccc(Cl)c1.
What is the InChIKey of N-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-(3-chlorophenyl)benzamide?
The InChIKey is LAMLYPBPRQOOOH-DODVFSASSA-N. The full InChI is InChI=1S/C21H23ClN2O/c22-16-5-3-4-15(12-16)19-6-1-2-7-20(19)21(25)23-13-14-10-17-8-9-18(11-14)24-17/h1-7,12,14,17-18,24H,8-11,13H2,(H,23,25)/t14?,17-,18+.
What are the key properties of N-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-(3-chlorophenyl)benzamide?
N-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-(3-chlorophenyl)benzamide has a molecular weight of 354.88 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-(3-chlorophenyl)benzamide is sourced from PubChem (CID 46891151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).