5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide

C20H23ClN2O3 — CID 56672418

IUPAC5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1
InChIInChI=1S/C20H23ClN2O3/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/h2-4,7-9,14-16H,5-6,10-12H2,1H3,(H,22,24)/t15-,16-/m1/s1
InChIKeyPMQONYDCPOSURY-HZPDHXFCSA-N
MW374.87 g/mol
LogP3.87
Rot. Bonds5

About 5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide

5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide (PubChem CID 56672418) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
PubChem CID56672418
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1
InChIInChI=1S/C20H23ClN2O3/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/h2-4,7-9,14-16H,5-6,10-12H2,1H3,(H,22,24)/t15-,16-/m1/s1
InChIKeyPMQONYDCPOSURY-HZPDHXFCSA-N
XLogP3.87
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide with MolForge

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Related Compounds

N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
CID 56679119
5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 54768936
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide
CID 3059383
1-[8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methoxyphenyl)urea
CID 3217823
N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide
CID 155574259
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methoxybenzamide;hydrochloride
CID 3059281
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533
1-(3,4-dimethylphenyl)-3-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]thiourea
CID 98110018
4-amino-5-bromo-N-[8-[(3,4-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
CID 3059367
2-methoxy-N-[(1R,5R)-9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110383
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
5-chloro-2-methoxy-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108552287

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide (CID 56672418) is 5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1.
What is the InChIKey of 5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide?
The InChIKey is PMQONYDCPOSURY-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H23ClN2O3/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/h2-4,7-9,14-16H,5-6,10-12H2,1H3,(H,22,24)/t15-,16-/m1/s1.
What are the key properties of 5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide?
5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide has a molecular weight of 374.87 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 56672418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).