2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide

C14H18ClN3O — CID 115314662

IUPAC2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide
SMILESNC(=O)c1c(Cl)cccc1N1CCC2CCC(C1)N2
InChIInChI=1S/C14H18ClN3O/c15-11-2-1-3-12(13(11)14(16)19)18-7-6-9-4-5-10(8-18)17-9/h1-3,9-10,17H,4-8H2,(H2,16,19)
InChIKeyLBNWZJMXMMVSNI-UHFFFAOYSA-N
MW279.77 g/mol
LogP1.77
Rot. Bonds2

About 2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide

2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide (PubChem CID 115314662) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide
PubChem CID115314662
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide
SMILESNC(=O)c1c(Cl)cccc1N1CCC2CCC(C1)N2
InChIInChI=1S/C14H18ClN3O/c15-11-2-1-3-12(13(11)14(16)19)18-7-6-9-4-5-10(8-18)17-9/h1-3,9-10,17H,4-8H2,(H2,16,19)
InChIKeyLBNWZJMXMMVSNI-UHFFFAOYSA-N
XLogP1.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide?
The IUPAC name of 2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide (CID 115314662) is 2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide.
What is the SMILES notation for 2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide?
The canonical SMILES for 2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide is NC(=O)c1c(Cl)cccc1N1CCC2CCC(C1)N2.
What is the InChIKey of 2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide?
The InChIKey is LBNWZJMXMMVSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-11-2-1-3-12(13(11)14(16)19)18-7-6-9-4-5-10(8-18)17-9/h1-3,9-10,17H,4-8H2,(H2,16,19).
What are the key properties of 2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide?
2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide has a molecular weight of 279.77 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide is sourced from PubChem (CID 115314662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).