N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide

C23H16N4O — CID 3116204

IUPACN-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccc2ccccc12
InChIInChI=1S/C23H16N4O/c28-23(20-12-6-8-16-7-4-5-11-19(16)20)24-17-13-14-21-22(15-17)26-27(25-21)18-9-2-1-3-10-18/h1-15H,(H,24,28)
InChIKeyXTQVWBVGCWJGJR-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.83
Rot. Bonds3

About N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide

N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide (PubChem CID 3116204) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
PubChem CID3116204
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC NameN-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccc2ccccc12
InChIInChI=1S/C23H16N4O/c28-23(20-12-6-8-16-7-4-5-11-19(16)20)24-17-13-14-21-22(15-17)26-27(25-21)18-9-2-1-3-10-18/h1-15H,(H,24,28)
InChIKeyXTQVWBVGCWJGJR-UHFFFAOYSA-N
XLogP4.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219663
2,5-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219665
2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095349
2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 4244782
2-methoxy-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 1336954
4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3116199
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide
CID 1102702
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide
CID 3117301
2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17274693
2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 1493062
5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide
CID 17220107
N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 740259

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide (CID 3116204) is N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide is O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccc2ccccc12.
What is the InChIKey of N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide?
The InChIKey is XTQVWBVGCWJGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O/c28-23(20-12-6-8-16-7-4-5-11-19(16)20)24-17-13-14-21-22(15-17)26-27(25-21)18-9-2-1-3-10-18/h1-15H,(H,24,28).
What are the key properties of N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide?
N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 3116204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).