8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide

C27H26Cl2N2O — CID 11848793

IUPAC8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C27H26Cl2N2O/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)31-19-14-15-20(31)17-27(16-19,26(30)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H2,30,32)
InChIKeyXXHBZSGXGMJSEC-UHFFFAOYSA-N
MW465.42 g/mol
LogP6.13
Rot. Bonds5

About 8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide

8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 11848793) has the molecular formula C27H26Cl2N2O and a molecular weight of 465.42 g/mol. Its IUPAC name is 8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID11848793
Molecular FormulaC27H26Cl2N2O
Molecular Weight465.42 g/mol
Exact Mass464.14
IUPAC Name8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C27H26Cl2N2O/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)31-19-14-15-20(31)17-27(16-19,26(30)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H2,30,32)
InChIKeyXXHBZSGXGMJSEC-UHFFFAOYSA-N
XLogP6.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.42
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Disobutamide
CID 68566
8-[1-(4-Chloro-phenyl)-cyclohexyl]-4-phenyl-2,8-diaza-spiro[4.5]decan-1-one
CID 11223982
8-(Bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 44574708
1-{2-[4-(2,6-Dichlorobenzyl)piperazin-1-yl]-2-oxoethyl}-3,3-diphenylpyrrolidin-2-one
CID 45274308
1-{2-[4-(2,4-Dichlorobenzyl)piperazin-1-yl]-2-oxoethyl}-3,3-diphenylpyrrolidin-2-one
CID 57396815
endo-N-((8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-yl)methyl)acetamide
CID 25235412
8-(Bis(2-chlorophenyl)methyl)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 42629117
(3R,5S)-5-[4-(2-chlorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565209
N-(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-yl)cyclopropanecarboxamide
CID 44574789
8-(Bis(2-chlorophenyl)methyl)-3-(4-chlorophenyl)-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 44574848
8-(Bis(2-chlorophenyl)methyl)-3-(4-bromophenyl)-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 44574849
8-(Bis(2-chlorophenyl)methyl)-3-(4-carbamoylphenyl)-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 44574889

Frequently Asked Questions

What is the IUPAC name of 8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of 8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide (CID 11848793) is 8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for 8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for 8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide is NC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is XXHBZSGXGMJSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N2O/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)31-19-14-15-20(31)17-27(16-19,26(30)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H2,30,32).
What are the key properties of 8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 465.42 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 11848793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).