N-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide

C23H26ClN3O2 — CID 12002973

IUPACN-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1
InChIInChI=1S/C23H26ClN3O2/c24-18-8-4-7-17(11-18)23(29)25-14-22(28)26-19-12-20-9-10-21(13-19)27(20)15-16-5-2-1-3-6-16/h1-8,11,19-21H,9-10,12-15H2,(H,25,29)(H,26,28)/t20-,21-/m1/s1
InChIKeyDOSLGLCLOZSBDB-NHCUHLMSSA-N
MW411.93 g/mol
LogP3.38
Rot. Bonds6

About N-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide

N-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide (PubChem CID 12002973) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is N-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide
PubChem CID12002973
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC NameN-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1
InChIInChI=1S/C23H26ClN3O2/c24-18-8-4-7-17(11-18)23(29)25-14-22(28)26-19-12-20-9-10-21(13-19)27(20)15-16-5-2-1-3-6-16/h1-8,11,19-21H,9-10,12-15H2,(H,25,29)(H,26,28)/t20-,21-/m1/s1
InChIKeyDOSLGLCLOZSBDB-NHCUHLMSSA-N
XLogP3.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide with MolForge

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Related Compounds

N-[2-[[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-[hydroxy(phenyl)methyl]benzamide
CID 68821614
3-chloro-N-[3-[[(1S,5S)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-oxopropyl]benzamide
CID 12003231
N-[2-[[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-(cyanomethyl)benzamide
CID 68823852
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 3217171
N-[2-[[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-[hydroxy(phenyl)methyl]benzamide;3-methoxybenzamide
CID 69137046
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide
CID 54577620
3-chloro-N-[9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 3218228
3-chloro-N-[(1S,5S)-9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467226
3-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 26110931
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-cyclopentyloxyacetamide
CID 71876739
N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide
CID 7223858
5-chloro-N-[2-[[(1R,5R)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-2-methoxy-4-(methylamino)benzamide
CID 12003417

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide?
The IUPAC name of N-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide (CID 12002973) is N-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide.
What is the SMILES notation for N-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide?
The canonical SMILES for N-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide is O=C(CNC(=O)c1cccc(Cl)c1)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1.
What is the InChIKey of N-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide?
The InChIKey is DOSLGLCLOZSBDB-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c24-18-8-4-7-17(11-18)23(29)25-14-22(28)26-19-12-20-9-10-21(13-19)27(20)15-16-5-2-1-3-6-16/h1-8,11,19-21H,9-10,12-15H2,(H,25,29)(H,26,28)/t20-,21-/m1/s1.
What are the key properties of N-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide?
N-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide has a molecular weight of 411.93 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide is sourced from PubChem (CID 12002973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).