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

C19H15IN4O3 — CID 4550875

IUPACN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(I)o4)cc3n2)cc1
InChIInChI=1S/C19H15IN4O3/c1-2-26-14-6-4-13(5-7-14)24-22-15-8-3-12(11-16(15)23-24)21-19(25)17-9-10-18(20)27-17/h3-11H,2H2,1H3,(H,21,25)
InChIKeyMSWCRNZPCGKWDL-UHFFFAOYSA-N
MW474.26 g/mol
LogP4.27
Rot. Bonds5

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

N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide (PubChem CID 4550875) has the molecular formula C19H15IN4O3 and a molecular weight of 474.26 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide
PubChem CID4550875
Molecular FormulaC19H15IN4O3
Molecular Weight474.26 g/mol
Exact Mass474.02
IUPAC NameN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(I)o4)cc3n2)cc1
InChIInChI=1S/C19H15IN4O3/c1-2-26-14-6-4-13(5-7-14)24-22-15-8-3-12(11-16(15)23-24)21-19(25)17-9-10-18(20)27-17/h3-11H,2H2,1H3,(H,21,25)
InChIKeyMSWCRNZPCGKWDL-UHFFFAOYSA-N
XLogP4.27
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.26
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide
CID 5227293
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-(4-nitrophenyl)furan-2-carboxamide
CID 3127974
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide
CID 1395606
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide
CID 15993722
3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
CID 17219936
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 3886890
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-ethoxyphenyl)benzotriazol-5-yl]-3-nitrobenzamide
CID 1216141
3-butoxy-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
CID 3293171
(E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide
CID 1370083
5-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 3563784

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide (CID 4550875) is N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide is CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(I)o4)cc3n2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide?
The InChIKey is MSWCRNZPCGKWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15IN4O3/c1-2-26-14-6-4-13(5-7-14)24-22-15-8-3-12(11-16(15)23-24)21-19(25)17-9-10-18(20)27-17/h3-11H,2H2,1H3,(H,21,25).
What are the key properties of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide?
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide has a molecular weight of 474.26 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide is sourced from PubChem (CID 4550875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).