3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide

C23H18N4O2 — CID 1047480

IUPAC3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)c4oc5ccccc5c4C)cc3n2)cc1
InChIInChI=1S/C23H18N4O2/c1-14-7-10-17(11-8-14)27-25-19-12-9-16(13-20(19)26-27)24-23(28)22-15(2)18-5-3-4-6-21(18)29-22/h3-13H,1-2H3,(H,24,28)
InChIKeyDNNATYFCIZDOMS-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.04
Rot. Bonds3

About 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide

3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide (PubChem CID 1047480) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide
PubChem CID1047480
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)c4oc5ccccc5c4C)cc3n2)cc1
InChIInChI=1S/C23H18N4O2/c1-14-7-10-17(11-8-14)27-25-19-12-9-16(13-20(19)26-27)24-23(28)22-15(2)18-5-3-4-6-21(18)29-22/h3-13H,1-2H3,(H,24,28)
InChIKeyDNNATYFCIZDOMS-UHFFFAOYSA-N
XLogP5.04
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenoxy)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide
CID 1109840
5-(3-Chlorophenyl)-N-(2-phenyl-2H-1,2,3-benzotriazol-5-YL)furan-2-carboxamide
CID 15991141
N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-nitrofuran-2-carboxamide
CID 1104245
5-(2,5-Dichlorophenyl)-N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-YL]furan-2-carboxamide
CID 1114201
5-(3-chlorophenyl)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 1216011
N-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide
CID 1334100
Furan-2-carboxylic acid (2-phenyl-2H-benzotriazol-5-yl)-amide
CID 3126582
N-[2-(4-butylphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-carboxamide
CID 4584930
N-[6-Methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-YL]-5-phenylfuran-2-carboxamide
CID 15991067
N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-furamide
CID 738661
N-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide
CID 2164520
N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-carboxamide
CID 2871912

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide (CID 1047480) is 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide is Cc1ccc(-n2nc3ccc(NC(=O)c4oc5ccccc5c4C)cc3n2)cc1.
What is the InChIKey of 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide?
The InChIKey is DNNATYFCIZDOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-14-7-10-17(11-8-14)27-25-19-12-9-16(13-20(19)26-27)24-23(28)22-15(2)18-5-3-4-6-21(18)29-22/h3-13H,1-2H3,(H,24,28).
What are the key properties of 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide?
3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1047480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).