N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide

C18H16N2O — CID 66408451

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide
SMILESN#CC(C(=O)NCC1Cc2ccccc21)c1ccccc1
InChIInChI=1S/C18H16N2O/c19-11-17(13-6-2-1-3-7-13)18(21)20-12-15-10-14-8-4-5-9-16(14)15/h1-9,15,17H,10,12H2,(H,20,21)
InChIKeyGNRVHNYJBXAEBH-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.75
Rot. Bonds4

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide (PubChem CID 66408451) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide
PubChem CID66408451
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide
SMILESN#CC(C(=O)NCC1Cc2ccccc21)c1ccccc1
InChIInChI=1S/C18H16N2O/c19-11-17(13-6-2-1-3-7-13)18(21)20-12-15-10-14-8-4-5-9-16(14)15/h1-9,15,17H,10,12H2,(H,20,21)
InChIKeyGNRVHNYJBXAEBH-UHFFFAOYSA-N
XLogP2.75
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide
CID 60810919
(2S)-2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanamide
CID 79024332
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanediamide
CID 54928768
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-(4-methylphenyl)acetamide
CID 106151376
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide
CID 66408882
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide
CID 78995107
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-oxoethyl]phenyl]acetamide
CID 166214928
1-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97108739
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-phenylpropanamide
CID 66395417
3-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-hydroxyimino-2-methylpropanamide
CID 77133118
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-oxobutanamide
CID 60815550

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide (CID 66408451) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide is N#CC(C(=O)NCC1Cc2ccccc21)c1ccccc1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide?
The InChIKey is GNRVHNYJBXAEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-11-17(13-6-2-1-3-7-13)18(21)20-12-15-10-14-8-4-5-9-16(14)15/h1-9,15,17H,10,12H2,(H,20,21).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide has a molecular weight of 276.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide is sourced from PubChem (CID 66408451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).