2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide

C21H27ClN2O2 — CID 155504936

IUPAC2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
SMILESO=C(NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3)c1ccccc1Cl
InChIInChI=1S/C21H27ClN2O2/c22-18-8-4-3-7-15(18)20(25)23-11-16-17-12-24(14-5-1-2-6-14)13-21(17)10-9-19(16)26-21/h3-4,7-8,14,16-17,19H,1-2,5-6,9-13H2,(H,23,25)/t16-,17+,19+,21+/m0/s1
InChIKeyPOYSWPDYWZLACG-GMLUQMLDSA-N
MW374.91 g/mol
LogP3.49
Rot. Bonds4

About 2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide

2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide (PubChem CID 155504936) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
PubChem CID155504936
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
SMILESO=C(NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3)c1ccccc1Cl
InChIInChI=1S/C21H27ClN2O2/c22-18-8-4-3-7-15(18)20(25)23-11-16-17-12-24(14-5-1-2-6-14)13-21(17)10-9-19(16)26-21/h3-4,7-8,14,16-17,19H,1-2,5-6,9-13H2,(H,23,25)/t16-,17+,19+,21+/m0/s1
InChIKeyPOYSWPDYWZLACG-GMLUQMLDSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide with MolForge

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Related Compounds

N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide
CID 155499115
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide
CID 155509949
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155505641
N-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 155498761
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide
CID 155495486
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(3-fluorophenyl)propanamide
CID 155503849
2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155501317
2-methyl-N-[[(1S,5S,6R,7R)-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155500923
2-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-5-carboxamide
CID 155504143
4-chloro-N-[[(1S,5S,6R,7R)-3-(cyclobutylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155492744
2-fluoro-N-[[(1S,5S,6R,7R)-3-(3-methylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155500331
N-[[(1S,5S,6R,7R)-3-(3-chloro-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide
CID 155498876

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide (CID 155504936) is 2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide is O=C(NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide?
The InChIKey is POYSWPDYWZLACG-GMLUQMLDSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c22-18-8-4-3-7-15(18)20(25)23-11-16-17-12-24(14-5-1-2-6-14)13-21(17)10-9-19(16)26-21/h3-4,7-8,14,16-17,19H,1-2,5-6,9-13H2,(H,23,25)/t16-,17+,19+,21+/m0/s1.
What are the key properties of 2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide?
2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide has a molecular weight of 374.91 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide is sourced from PubChem (CID 155504936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).