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

C20H20N4O — CID 166243873

IUPACN-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(triazol-1-ylmethyl)benzamide
SMILESO=C(NC1CCc2ccccc2C1)c1cccc(Cn2ccnn2)c1
InChIInChI=1S/C20H20N4O/c25-20(22-19-9-8-16-5-1-2-6-17(16)13-19)18-7-3-4-15(12-18)14-24-11-10-21-23-24/h1-7,10-12,19H,8-9,13-14H2,(H,22,25)
InChIKeyCWNRDXDYBIIOPM-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.61
Rot. Bonds4

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

N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(triazol-1-ylmethyl)benzamide (PubChem CID 166243873) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(triazol-1-ylmethyl)benzamide
PubChem CID166243873
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(triazol-1-ylmethyl)benzamide
SMILESO=C(NC1CCc2ccccc2C1)c1cccc(Cn2ccnn2)c1
InChIInChI=1S/C20H20N4O/c25-20(22-19-9-8-16-5-1-2-6-17(16)13-19)18-7-3-4-15(12-18)14-24-11-10-21-23-24/h1-7,10-12,19H,8-9,13-14H2,(H,22,25)
InChIKeyCWNRDXDYBIIOPM-UHFFFAOYSA-N
XLogP2.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62304579
N-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(triazol-1-ylmethyl)benzamide
CID 167758104
3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630273
3-[[3-(triazol-1-ylmethyl)benzoyl]amino]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 155956664
3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103956267
3-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]benzoic acid
CID 103248031
2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide
CID 71902026
3-[[4-(1-hydroxy-2-methylpropyl)triazol-1-yl]methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide
CID 166371837
3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62305417
3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide
CID 95303687
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
CID 22318688
N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide
CID 107854750

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(triazol-1-ylmethyl)benzamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(triazol-1-ylmethyl)benzamide (CID 166243873) is N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(triazol-1-ylmethyl)benzamide is O=C(NC1CCc2ccccc2C1)c1cccc(Cn2ccnn2)c1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(triazol-1-ylmethyl)benzamide?
The InChIKey is CWNRDXDYBIIOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(22-19-9-8-16-5-1-2-6-17(16)13-19)18-7-3-4-15(12-18)14-24-11-10-21-23-24/h1-7,10-12,19H,8-9,13-14H2,(H,22,25).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(triazol-1-ylmethyl)benzamide?
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(triazol-1-ylmethyl)benzamide has a molecular weight of 332.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 166243873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).