N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C16H16N2O — CID 103760486

IUPACN-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C16H16N2O/c17-8-11-3-1-2-4-12(11)18-16(19)15-13-9-5-6-10(7-9)14(13)15/h1-4,9-10,13-15H,5-7H2,(H,18,19)
InChIKeyOQLJOXKVVOZKJL-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.79
Rot. Bonds2

About N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 103760486) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID103760486
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C16H16N2O/c17-8-11-3-1-2-4-12(11)18-16(19)15-13-9-5-6-10(7-9)14(13)15/h1-4,9-10,13-15H,5-7H2,(H,18,19)
InChIKeyOQLJOXKVVOZKJL-UHFFFAOYSA-N
XLogP2.79
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98187162
(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 685768
(1R,2R,3S,4R)-3-[(2-cyanophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124681397
N-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760902
1-N-(2-cyanophenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109131004
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 79005674
4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109150947
N-(2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737104
N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide
CID 3093789
N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515
trans-(1S,3S)-N-(2-cyanophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95568627

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 103760486) is N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is N#Cc1ccccc1NC(=O)C1C2C3CCC(C3)C12.
What is the InChIKey of N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is OQLJOXKVVOZKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-8-11-3-1-2-4-12(11)18-16(19)15-13-9-5-6-10(7-9)14(13)15/h1-4,9-10,13-15H,5-7H2,(H,18,19).
What are the key properties of N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 103760486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).