N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide

C25H20N4O2 — CID 15993722

IUPACN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)c4ccc5ccccc5c4)cc3n2)cc1
InChIInChI=1S/C25H20N4O2/c1-2-31-22-12-10-21(11-13-22)29-27-23-14-9-20(16-24(23)28-29)26-25(30)19-8-7-17-5-3-4-6-18(17)15-19/h3-16H,2H2,1H3,(H,26,30)
InChIKeyVXCSQWSBDAYIQW-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.22
Rot. Bonds5

About N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide

N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide (PubChem CID 15993722) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide
PubChem CID15993722
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)c4ccc5ccccc5c4)cc3n2)cc1
InChIInChI=1S/C25H20N4O2/c1-2-31-22-12-10-21(11-13-22)29-27-23-14-9-20(16-24(23)28-29)26-25(30)19-8-7-17-5-3-4-6-18(17)15-19/h3-16H,2H2,1H3,(H,26,30)
InChIKeyVXCSQWSBDAYIQW-UHFFFAOYSA-N
XLogP5.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 3886890
3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
CID 17219936
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-nitrobenzamide
CID 1216141
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide
CID 2276912
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide
CID 1395606
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide
CID 4550875
(E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide
CID 1370083
3-butoxy-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
CID 3293171
5-bromo-2-chloro-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
CID 1108421
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 17219939
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide (CID 15993722) is N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide is CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc5ccccc5c4)cc3n2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide?
The InChIKey is VXCSQWSBDAYIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-2-31-22-12-10-21(11-13-22)29-27-23-14-9-20(16-24(23)28-29)26-25(30)19-8-7-17-5-3-4-6-18(17)15-19/h3-16H,2H2,1H3,(H,26,30).
What are the key properties of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide?
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 15993722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).