N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-(3,4-dichlorophenyl)acetamide

C21H22Cl2N2O — CID 162663440

IUPACN-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCC12CC(CN1Cc1ccccc1)C2
InChIInChI=1S/C21H22Cl2N2O/c22-18-7-6-16(8-19(18)23)9-20(26)24-14-21-10-17(11-21)13-25(21)12-15-4-2-1-3-5-15/h1-8,17H,9-14H2,(H,24,26)
InChIKeyLBURUXCHULCGRH-UHFFFAOYSA-N
MW389.33 g/mol
LogP4.32
Rot. Bonds6

About N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-(3,4-dichlorophenyl)acetamide

N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-(3,4-dichlorophenyl)acetamide (PubChem CID 162663440) has the molecular formula C21H22Cl2N2O and a molecular weight of 389.33 g/mol. Its IUPAC name is N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-(3,4-dichlorophenyl)acetamide
PubChem CID162663440
Molecular FormulaC21H22Cl2N2O
Molecular Weight389.33 g/mol
Exact Mass388.11
IUPAC NameN-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCC12CC(CN1Cc1ccccc1)C2
InChIInChI=1S/C21H22Cl2N2O/c22-18-7-6-16(8-19(18)23)9-20(26)24-14-21-10-17(11-21)13-25(21)12-15-4-2-1-3-5-15/h1-8,17H,9-14H2,(H,24,26)
InChIKeyLBURUXCHULCGRH-UHFFFAOYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-5-chloro-2-methylbenzamide
CID 162671305
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 162648103
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 162646082
(E)-N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-3-(2-fluorophenyl)prop-2-enamide
CID 162657572
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 39302925
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 162648771
2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 115701267
N-[[4-[(3,4-dichlorophenyl)methyl]-1,4-oxazepan-6-yl]methyl]-2-phenylacetamide
CID 10024349
2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286
2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide
CID 86809326
2-(3,4-dichlorophenyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751097
2-(3,4-dichlorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 60566359

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-(3,4-dichlorophenyl)acetamide (CID 162663440) is N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-(3,4-dichlorophenyl)acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)NCC12CC(CN1Cc1ccccc1)C2.
What is the InChIKey of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is LBURUXCHULCGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O/c22-18-7-6-16(8-19(18)23)9-20(26)24-14-21-10-17(11-21)13-25(21)12-15-4-2-1-3-5-15/h1-8,17H,9-14H2,(H,24,26).
What are the key properties of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-(3,4-dichlorophenyl)acetamide?
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 389.33 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 162663440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).