4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide

C14H18ClN3O — CID 63092116

IUPAC4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide
SMILESNC(=O)c1ccc(NC2CC3CCC(C2)N3)c(Cl)c1
InChIInChI=1S/C14H18ClN3O/c15-12-5-8(14(16)19)1-4-13(12)18-11-6-9-2-3-10(7-11)17-9/h1,4-5,9-11,17-18H,2-3,6-7H2,(H2,16,19)
InChIKeyACPLGAGBWDOCKD-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.13
Rot. Bonds3

About 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide

4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide (PubChem CID 63092116) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide.

Molecular Properties

Compound Name4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide
PubChem CID63092116
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide
SMILESNC(=O)c1ccc(NC2CC3CCC(C2)N3)c(Cl)c1
InChIInChI=1S/C14H18ClN3O/c15-12-5-8(14(16)19)1-4-13(12)18-11-6-9-2-3-10(7-11)17-9/h1,4-5,9-11,17-18H,2-3,6-7H2,(H2,16,19)
InChIKeyACPLGAGBWDOCKD-UHFFFAOYSA-N
XLogP2.13
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide?
The IUPAC name of 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide (CID 63092116) is 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide.
What is the SMILES notation for 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide?
The canonical SMILES for 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide is NC(=O)c1ccc(NC2CC3CCC(C2)N3)c(Cl)c1.
What is the InChIKey of 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide?
The InChIKey is ACPLGAGBWDOCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-12-5-8(14(16)19)1-4-13(12)18-11-6-9-2-3-10(7-11)17-9/h1,4-5,9-11,17-18H,2-3,6-7H2,(H2,16,19).
What are the key properties of 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide?
4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide has a molecular weight of 279.77 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide is sourced from PubChem (CID 63092116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).