2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-chlorobenzamide

C16H22ClN3O — CID 63081415

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-chlorobenzamide
SMILESCCN(c1cc(Cl)ccc1C(N)=O)C1CC2CCC(C1)N2
InChIInChI=1S/C16H22ClN3O/c1-2-20(13-8-11-4-5-12(9-13)19-11)15-7-10(17)3-6-14(15)16(18)21/h3,6-7,11-13,19H,2,4-5,8-9H2,1H3,(H2,18,21)
InChIKeyFHOXIEYMPPUSCM-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.55
Rot. Bonds4

About 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-chlorobenzamide

2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-chlorobenzamide (PubChem CID 63081415) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-chlorobenzamide.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-chlorobenzamide
PubChem CID63081415
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-chlorobenzamide
SMILESCCN(c1cc(Cl)ccc1C(N)=O)C1CC2CCC(C1)N2
InChIInChI=1S/C16H22ClN3O/c1-2-20(13-8-11-4-5-12(9-13)19-11)15-7-10(17)3-6-14(15)16(18)21/h3,6-7,11-13,19H,2,4-5,8-9H2,1H3,(H2,18,21)
InChIKeyFHOXIEYMPPUSCM-UHFFFAOYSA-N
XLogP2.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-chlorobenzamide?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-chlorobenzamide (CID 63081415) is 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-chlorobenzamide.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-chlorobenzamide?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-chlorobenzamide is CCN(c1cc(Cl)ccc1C(N)=O)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-chlorobenzamide?
The InChIKey is FHOXIEYMPPUSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-2-20(13-8-11-4-5-12(9-13)19-11)15-7-10(17)3-6-14(15)16(18)21/h3,6-7,11-13,19H,2,4-5,8-9H2,1H3,(H2,18,21).
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-chlorobenzamide?
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-chlorobenzamide has a molecular weight of 307.82 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-chlorobenzamide is sourced from PubChem (CID 63081415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).