2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-bromobenzamide

C14H18BrN3O — CID 114884728

IUPAC2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-bromobenzamide
SMILESNC(=O)c1c(Br)cccc1NC1CC2CCC(C1)N2
InChIInChI=1S/C14H18BrN3O/c15-11-2-1-3-12(13(11)14(16)19)18-10-6-8-4-5-9(7-10)17-8/h1-3,8-10,17-18H,4-7H2,(H2,16,19)
InChIKeyAVQMKSRHBCBYKF-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.24
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-bromobenzamide

2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-bromobenzamide (PubChem CID 114884728) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-bromobenzamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-bromobenzamide
PubChem CID114884728
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-bromobenzamide
SMILESNC(=O)c1c(Br)cccc1NC1CC2CCC(C1)N2
InChIInChI=1S/C14H18BrN3O/c15-11-2-1-3-12(13(11)14(16)19)18-10-6-8-4-5-9(7-10)17-8/h1-3,8-10,17-18H,4-7H2,(H2,16,19)
InChIKeyAVQMKSRHBCBYKF-UHFFFAOYSA-N
XLogP2.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-4-ylamino)-6-bromobenzamide
CID 107173668
2-[(2-aminocyclopropyl)amino]-6-bromobenzamide
CID 114884697
2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide
CID 61230839
2-bromo-6-[(3,5-dimethylcyclohexyl)amino]benzoic acid
CID 114888288
4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide
CID 63092116
2-bromo-6-[2-(cycloheptylamino)ethylamino]benzamide
CID 114884984
2-bromo-6-(piperidin-3-ylmethylamino)benzamide
CID 114884738
2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide
CID 114884757
2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid
CID 114880085
N-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 105476083
2-bromo-6-(1-piperidin-3-ylethylamino)benzamide
CID 114884744
2-bromo-6-[2-[(2S)-pyrrolidin-2-yl]ethylamino]benzamide
CID 104982752

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-bromobenzamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-bromobenzamide (CID 114884728) is 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-bromobenzamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-bromobenzamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-bromobenzamide is NC(=O)c1c(Br)cccc1NC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-bromobenzamide?
The InChIKey is AVQMKSRHBCBYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c15-11-2-1-3-12(13(11)14(16)19)18-10-6-8-4-5-9(7-10)17-8/h1-3,8-10,17-18H,4-7H2,(H2,16,19).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-bromobenzamide?
2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-bromobenzamide has a molecular weight of 324.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 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-ylamino)-6-bromobenzamide is sourced from PubChem (CID 114884728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).