N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide

C19H15IN4O2 — CID 5227293

IUPACN-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)c4ccc(I)o4)cc3n2)cc1C
InChIInChI=1S/C19H15IN4O2/c1-11-3-5-14(9-12(11)2)24-22-15-6-4-13(10-16(15)23-24)21-19(25)17-7-8-18(20)26-17/h3-10H,1-2H3,(H,21,25)
InChIKeySZOIGOKELBNEIT-UHFFFAOYSA-N
MW458.26 g/mol
LogP4.49
Rot. Bonds3

About N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide

N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide (PubChem CID 5227293) has the molecular formula C19H15IN4O2 and a molecular weight of 458.26 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide
PubChem CID5227293
Molecular FormulaC19H15IN4O2
Molecular Weight458.26 g/mol
Exact Mass458.02
IUPAC NameN-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)c4ccc(I)o4)cc3n2)cc1C
InChIInChI=1S/C19H15IN4O2/c1-11-3-5-14(9-12(11)2)24-22-15-6-4-13(10-16(15)23-24)21-19(25)17-7-8-18(20)26-17/h3-10H,1-2H3,(H,21,25)
InChIKeySZOIGOKELBNEIT-UHFFFAOYSA-N
XLogP4.49
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.26
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide
CID 4550875
5-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 3563784
5-bromo-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methoxybenzamide
CID 4039694
N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308320
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide
CID 23794598
3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 17219708
ethyl 4-[5-[(2-phenylbenzotriazol-5-yl)carbamoyl]furan-2-yl]benzoate
CID 1491630
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 952245
3-(5-bromo-2-methoxyphenyl)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]prop-2-enamide
CID 5161771
4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 17101782

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide (CID 5227293) is N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide is Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(I)o4)cc3n2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide?
The InChIKey is SZOIGOKELBNEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15IN4O2/c1-11-3-5-14(9-12(11)2)24-22-15-6-4-13(10-16(15)23-24)21-19(25)17-7-8-18(20)26-17/h3-10H,1-2H3,(H,21,25).
What are the key properties of N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide?
N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide has a molecular weight of 458.26 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide is sourced from PubChem (CID 5227293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).