N-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide

C23H18N4O2 — CID 1334100

IUPACN-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide
SMILESCCc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5o4)cc3n2)cc1
InChIInChI=1S/C23H18N4O2/c1-2-15-7-10-18(11-8-15)27-25-19-12-9-17(14-20(19)26-27)24-23(28)22-13-16-5-3-4-6-21(16)29-22/h3-14H,2H2,1H3,(H,24,28)
InChIKeyNDSZOFDZKCKQEX-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.98
Rot. Bonds4

About N-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide

N-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide (PubChem CID 1334100) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide
PubChem CID1334100
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide
SMILESCCc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5o4)cc3n2)cc1
InChIInChI=1S/C23H18N4O2/c1-2-15-7-10-18(11-8-15)27-25-19-12-9-17(14-20(19)26-27)24-23(28)22-13-16-5-3-4-6-21(16)29-22/h3-14H,2H2,1H3,(H,24,28)
InChIKeyNDSZOFDZKCKQEX-UHFFFAOYSA-N
XLogP4.98
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide (CID 1334100) is N-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide is CCc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5o4)cc3n2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide?
The InChIKey is NDSZOFDZKCKQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-2-15-7-10-18(11-8-15)27-25-19-12-9-17(14-20(19)26-27)24-23(28)22-13-16-5-3-4-6-21(16)29-22/h3-14H,2H2,1H3,(H,24,28).
What are the key properties of N-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide?
N-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1334100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).