N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide

C23H26Cl2N2O2 — CID 155574259

IUPACN-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CC2CCCC(C1)N2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H26Cl2N2O2/c1-29-22-8-3-2-7-20(22)23(28)26-17-12-18-5-4-6-19(13-17)27(18)14-15-9-10-16(24)11-21(15)25/h2-3,7-11,17-19H,4-6,12-14H2,1H3,(H,26,28)
InChIKeyBNCINAOTTGPVQP-UHFFFAOYSA-N
MW433.38 g/mol
LogP5.32
Rot. Bonds5

About N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide

N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide (PubChem CID 155574259) has the molecular formula C23H26Cl2N2O2 and a molecular weight of 433.38 g/mol. Its IUPAC name is N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide
PubChem CID155574259
Molecular FormulaC23H26Cl2N2O2
Molecular Weight433.38 g/mol
Exact Mass432.14
IUPAC NameN-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CC2CCCC(C1)N2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H26Cl2N2O2/c1-29-22-8-3-2-7-20(22)23(28)26-17-12-18-5-4-6-19(13-17)27(18)14-15-9-10-16(24)11-21(15)25/h2-3,7-11,17-19H,4-6,12-14H2,1H3,(H,26,28)
InChIKeyBNCINAOTTGPVQP-UHFFFAOYSA-N
XLogP5.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.38
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide with MolForge

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Related Compounds

2-methoxy-N-[(1R,5R)-9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110383
2-fluoro-N-[9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 43813977
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
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methoxybenzamide;hydrochloride
CID 3059281
2-chloro-N-[(1R,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110280
5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
CID 56672418
N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
CID 56679119
2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide
CID 15751470
2-fluoro-N-[9-[(4-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 43813940
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide
CID 3059383
N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-1-carboxamide
CID 45144915

Frequently Asked Questions

What is the IUPAC name of N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide (CID 155574259) is N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC1CC2CCCC(C1)N2Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide?
The InChIKey is BNCINAOTTGPVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O2/c1-29-22-8-3-2-7-20(22)23(28)26-17-12-18-5-4-6-19(13-17)27(18)14-15-9-10-16(24)11-21(15)25/h2-3,7-11,17-19H,4-6,12-14H2,1H3,(H,26,28).
What are the key properties of N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide?
N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide has a molecular weight of 433.38 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 155574259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).