N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide

C26H22N4O — CID 3525463

IUPACN-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide
SMILESCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc5ccccc45)cc3n2)cc1
InChIInChI=1S/C26H22N4O/c1-3-18-11-13-20(14-12-18)30-28-24-15-17(2)23(16-25(24)29-30)27-26(31)22-10-6-8-19-7-4-5-9-21(19)22/h4-16H,3H2,1-2H3,(H,27,31)
InChIKeySCPAYDQJVWCLLE-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.70
Rot. Bonds4

About N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide

N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide (PubChem CID 3525463) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide
PubChem CID3525463
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC NameN-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide
SMILESCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc5ccccc45)cc3n2)cc1
InChIInChI=1S/C26H22N4O/c1-3-18-11-13-20(14-12-18)30-28-24-15-17(2)23(16-25(24)29-30)27-26(31)22-10-6-8-19-7-4-5-9-21(19)22/h4-16H,3H2,1-2H3,(H,27,31)
InChIKeySCPAYDQJVWCLLE-UHFFFAOYSA-N
XLogP5.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide (CID 3525463) is N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide is CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc5ccccc45)cc3n2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide?
The InChIKey is SCPAYDQJVWCLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c1-3-18-11-13-20(14-12-18)30-28-24-15-17(2)23(16-25(24)29-30)27-26(31)22-10-6-8-19-7-4-5-9-21(19)22/h4-16H,3H2,1-2H3,(H,27,31).
What are the key properties of N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide?
N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 3525463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).