3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide

C18H16N2O — CID 60630273

IUPAC3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
SMILESN#Cc1cccc(C(=O)NC2CCc3ccccc3C2)c1
InChIInChI=1S/C18H16N2O/c19-12-13-4-3-7-16(10-13)18(21)20-17-9-8-14-5-1-2-6-15(14)11-17/h1-7,10,17H,8-9,11H2,(H,20,21)
InChIKeyRKYWKYHCXWCYML-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.85
Rot. Bonds2

About 3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide

3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide (PubChem CID 60630273) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
PubChem CID60630273
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
SMILESN#Cc1cccc(C(=O)NC2CCc3ccccc3C2)c1
InChIInChI=1S/C18H16N2O/c19-12-13-4-3-7-16(10-13)18(21)20-17-9-8-14-5-1-2-6-15(14)11-17/h1-7,10,17H,8-9,11H2,(H,20,21)
InChIKeyRKYWKYHCXWCYML-UHFFFAOYSA-N
XLogP2.85
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62304579
3-cyano-N-(6-oxopiperidin-3-yl)benzamide
CID 62491080
3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103956267
3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816870
3-cyano-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880768
3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62305417
3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide
CID 118740731
3-cyano-N-(2-oxoazepan-4-yl)benzamide
CID 19090425
3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide
CID 71789109
N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755
3-cyano-N-[(3R)-5-oxopyrrolidin-3-yl]benzamide
CID 95985010
2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide
CID 71902026

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The IUPAC name of 3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide (CID 60630273) is 3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The canonical SMILES for 3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide is N#Cc1cccc(C(=O)NC2CCc3ccccc3C2)c1.
What is the InChIKey of 3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The InChIKey is RKYWKYHCXWCYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-12-13-4-3-7-16(10-13)18(21)20-17-9-8-14-5-1-2-6-15(14)11-17/h1-7,10,17H,8-9,11H2,(H,20,21).
What are the key properties of 3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide has a molecular weight of 276.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 60630273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).