N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide

C16H14N4O — CID 36542028

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1ccc2n[nH]nc2c1
InChIInChI=1S/C16H14N4O/c21-16(12-5-7-14-15(9-12)19-20-18-14)17-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,17,21)(H,18,19,20)
InChIKeyLENHBIQCDOGRDH-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.70
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide (PubChem CID 36542028) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide
PubChem CID36542028
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1ccc2n[nH]nc2c1
InChIInChI=1S/C16H14N4O/c21-16(12-5-7-14-15(9-12)19-20-18-14)17-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,17,21)(H,18,19,20)
InChIKeyLENHBIQCDOGRDH-UHFFFAOYSA-N
XLogP2.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2H-benzotriazole-5-carboxamide
CID 110468853
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 25371184
N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide
CID 17477354
N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide
CID 27162728
N-quinolin-6-yl-2H-benzotriazole-5-carboxamide
CID 60555981
N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide
CID 71918413
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide
CID 154860717
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide
CID 103220953
N-(1H-indazol-6-yl)-2H-benzotriazole-5-carboxamide
CID 36561248
3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 107980005
N-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 131919670

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide (CID 36542028) is N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide is O=C(Nc1ccc2c(c1)CCC2)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide?
The InChIKey is LENHBIQCDOGRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(12-5-7-14-15(9-12)19-20-18-14)17-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,17,21)(H,18,19,20).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 36542028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).