N-[2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide

C18H14N4O2 — CID 738661

IUPACN-[2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)c4ccco4)cc3n2)cc1
InChIInChI=1S/C18H14N4O2/c1-12-4-7-14(8-5-12)22-20-15-9-6-13(11-16(15)21-22)19-18(23)17-3-2-10-24-17/h2-11H,1H3,(H,19,23)
InChIKeyLFHKVVRPJGZUTK-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.57
Rot. Bonds3

About N-[2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide

N-[2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide (PubChem CID 738661) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide
PubChem CID738661
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-[2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)c4ccco4)cc3n2)cc1
InChIInChI=1S/C18H14N4O2/c1-12-4-7-14(8-5-12)22-20-15-9-6-13(11-16(15)21-22)19-18(23)17-3-2-10-24-17/h2-11H,1H3,(H,19,23)
InChIKeyLFHKVVRPJGZUTK-UHFFFAOYSA-N
XLogP3.57
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.57
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-bromo-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)-2-furamide
CID 3236674
5-(3-Chlorophenyl)-N-(2-phenyl-2H-1,2,3-benzotriazol-5-YL)furan-2-carboxamide
CID 15991141
N-[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]furan-2-carboxamide
CID 661545
3-Furan-2-yl-N-(2-phenyl-2H-benzotriazol-5-yl)-acrylamide
CID 727009
3-Furan-2-yl-N-(2-p-tolyl-2H-benzotriazol-5-yl)-acrylamide
CID 782316
N-(6-chloro-2-phenyl-2H-benzotriazol-5-yl)furan-2-carboxamide
CID 851527
N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-nitrofuran-2-carboxamide
CID 1104245
5-(3-chlorophenyl)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 1216011
N-[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]-1-benzofuran-2-carboxamide
CID 1334100
(E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide
CID 1343565
(2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide
CID 1343704

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide (CID 738661) is N-[2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide is Cc1ccc(-n2nc3ccc(NC(=O)c4ccco4)cc3n2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide?
The InChIKey is LFHKVVRPJGZUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-12-4-7-14(8-5-12)22-20-15-9-6-13(11-16(15)21-22)19-18(23)17-3-2-10-24-17/h2-11H,1H3,(H,19,23).
What are the key properties of N-[2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide?
N-[2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 738661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).