N-(2,3-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

C13H15Cl2N3O — CID 175882077

IUPACN-(2,3-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)N1C2CCC1CNC2
InChIInChI=1S/C13H15Cl2N3O/c14-10-2-1-3-11(12(10)15)17-13(19)18-8-4-5-9(18)7-16-6-8/h1-3,8-9,16H,4-7H2,(H,17,19)
InChIKeySCJFGCPZKBYNHH-UHFFFAOYSA-N
MW300.19 g/mol
LogP2.96
Rot. Bonds1

About N-(2,3-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

N-(2,3-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 175882077) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
PubChem CID175882077
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC NameN-(2,3-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)N1C2CCC1CNC2
InChIInChI=1S/C13H15Cl2N3O/c14-10-2-1-3-11(12(10)15)17-13(19)18-8-4-5-9(18)7-16-6-8/h1-3,8-9,16H,4-7H2,(H,17,19)
InChIKeySCJFGCPZKBYNHH-UHFFFAOYSA-N
XLogP2.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 17185082
N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 55231498
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
N-(2,3-dichlorophenyl)-2-piperidin-3-ylacetamide
CID 62675229
N-(2,3-dichlorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 63768892
N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide
CID 112524536
2-(cyclopropylmethylamino)-N-(2,3-dichlorophenyl)acetamide
CID 60843168
2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 66181735
2-[1-[(2,3-dichlorophenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682846
N-(2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91902197
N-(2,3-dichlorophenyl)-4-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]cyclohexane-1-carboxamide
CID 6594097

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide (CID 175882077) is N-(2,3-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide is O=C(Nc1cccc(Cl)c1Cl)N1C2CCC1CNC2.
What is the InChIKey of N-(2,3-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is SCJFGCPZKBYNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c14-10-2-1-3-11(12(10)15)17-13(19)18-8-4-5-9(18)7-16-6-8/h1-3,8-9,16H,4-7H2,(H,17,19).
What are the key properties of N-(2,3-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
N-(2,3-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 300.19 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 175882077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).