N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-3-chlorobenzamide

C20H21ClN2O — CID 162662003

IUPACN-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-3-chlorobenzamide
SMILESO=C(NCC12CC(CN1Cc1ccccc1)C2)c1cccc(Cl)c1
InChIInChI=1S/C20H21ClN2O/c21-18-8-4-7-17(9-18)19(24)22-14-20-10-16(11-20)13-23(20)12-15-5-2-1-3-6-15/h1-9,16H,10-14H2,(H,22,24)
InChIKeyCAMVQKZXLNNKLA-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.73
Rot. Bonds5

About N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-3-chlorobenzamide

N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-3-chlorobenzamide (PubChem CID 162662003) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-3-chlorobenzamide
PubChem CID162662003
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC NameN-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-3-chlorobenzamide
SMILESO=C(NCC12CC(CN1Cc1ccccc1)C2)c1cccc(Cl)c1
InChIInChI=1S/C20H21ClN2O/c21-18-8-4-7-17(9-18)19(24)22-14-20-10-16(11-20)13-23(20)12-15-5-2-1-3-6-15/h1-9,16H,10-14H2,(H,22,24)
InChIKeyCAMVQKZXLNNKLA-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-3-chlorobenzamide?
The IUPAC name of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-3-chlorobenzamide (CID 162662003) is N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-3-chlorobenzamide.
What is the SMILES notation for N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-3-chlorobenzamide?
The canonical SMILES for N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-3-chlorobenzamide is O=C(NCC12CC(CN1Cc1ccccc1)C2)c1cccc(Cl)c1.
What is the InChIKey of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-3-chlorobenzamide?
The InChIKey is CAMVQKZXLNNKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c21-18-8-4-7-17(9-18)19(24)22-14-20-10-16(11-20)13-23(20)12-15-5-2-1-3-6-15/h1-9,16H,10-14H2,(H,22,24).
What are the key properties of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-3-chlorobenzamide?
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-3-chlorobenzamide has a molecular weight of 340.85 g/mol, XLogP of 3.73, 5 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]-3-chlorobenzamide is sourced from PubChem (CID 162662003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).