5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

C20H27ClN2O3 — CID 54768936

IUPAC5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC1CCCO1
InChIInChI=1S/C20H27ClN2O3/c1-25-19-7-4-13(21)9-18(19)20(24)22-14-10-15-5-6-16(11-14)23(15)12-17-3-2-8-26-17/h4,7,9,14-17H,2-3,5-6,8,10-12H2,1H3,(H,22,24)/t14?,15-,16+,17?
InChIKeyRIEMXJMKVGFKQM-HPZPOOBXSA-N
MW378.90 g/mol
LogP3.25
Rot. Bonds5

About 5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide (PubChem CID 54768936) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
PubChem CID54768936
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC1CCCO1
InChIInChI=1S/C20H27ClN2O3/c1-25-19-7-4-13(21)9-18(19)20(24)22-14-10-15-5-6-16(11-14)23(15)12-17-3-2-8-26-17/h4,7,9,14-17H,2-3,5-6,8,10-12H2,1H3,(H,22,24)/t14?,15-,16+,17?
InChIKeyRIEMXJMKVGFKQM-HPZPOOBXSA-N
XLogP3.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
CID 56672418
1-[(5-chloro-2-methoxybenzoyl)amino]-3-(oxolan-2-ylmethyl)thiourea
CID 17373498
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533
N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide
CID 155574259
5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 146087102
[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2659998
5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 17297293
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide
CID 3059383
5-chloro-2-methoxy-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108552287
N-[5-tert-butyl-2-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazol-3-ylidene]-5-chloro-2-methoxybenzamide
CID 25262917
N-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025488
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide (CID 54768936) is 5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide is COc1ccc(Cl)cc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC1CCCO1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The InChIKey is RIEMXJMKVGFKQM-HPZPOOBXSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c1-25-19-7-4-13(21)9-18(19)20(24)22-14-10-15-5-6-16(11-14)23(15)12-17-3-2-8-26-17/h4,7,9,14-17H,2-3,5-6,8,10-12H2,1H3,(H,22,24)/t14?,15-,16+,17?.
What are the key properties of 5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide has a molecular weight of 378.90 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide is sourced from PubChem (CID 54768936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).