5-(2,3-dichlorophenyl)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide

C26H20Cl2N4O2 — CID 17117300

IUPAC5-(2,3-dichlorophenyl)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide
SMILESCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc(Cl)c5Cl)o4)cc3n2)cc1
InChIInChI=1S/C26H20Cl2N4O2/c1-3-16-7-9-17(10-8-16)32-30-21-13-15(2)20(14-22(21)31-32)29-26(33)24-12-11-23(34-24)18-5-4-6-19(27)25(18)28/h4-14H,3H2,1-2H3,(H,29,33)
InChIKeyPRFITFCNLFKAAE-UHFFFAOYSA-N
MW491.38 g/mol
LogP7.11
Rot. Bonds5

About 5-(2,3-dichlorophenyl)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide

5-(2,3-dichlorophenyl)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide (PubChem CID 17117300) has the molecular formula C26H20Cl2N4O2 and a molecular weight of 491.38 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide
PubChem CID17117300
Molecular FormulaC26H20Cl2N4O2
Molecular Weight491.38 g/mol
Exact Mass490.10
IUPAC Name5-(2,3-dichlorophenyl)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide
SMILESCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc(Cl)c5Cl)o4)cc3n2)cc1
InChIInChI=1S/C26H20Cl2N4O2/c1-3-16-7-9-17(10-8-16)32-30-21-13-15(2)20(14-22(21)31-32)29-26(33)24-12-11-23(34-24)18-5-4-6-19(27)25(18)28/h4-14H,3H2,1-2H3,(H,29,33)
InChIKeyPRFITFCNLFKAAE-UHFFFAOYSA-N
XLogP7.11
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.38
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dichlorophenyl)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carboxamide
CID 17319015
N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide
CID 17220508
5-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]furan-2-carboxamide
CID 17115239
N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17117332
N-[[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17314404
4-ethyl-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17018365
3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17027188
3-chloro-N-[[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide
CID 17104671
2,4-dichloro-N-[[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide
CID 17115214
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463
5-(2,3-dichlorophenyl)-N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]furan-2-carboxamide
CID 2066705
methyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate
CID 3641679

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide?
The IUPAC name of 5-(2,3-dichlorophenyl)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide (CID 17117300) is 5-(2,3-dichlorophenyl)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide?
The canonical SMILES for 5-(2,3-dichlorophenyl)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide is CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc(Cl)c5Cl)o4)cc3n2)cc1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide?
The InChIKey is PRFITFCNLFKAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N4O2/c1-3-16-7-9-17(10-8-16)32-30-21-13-15(2)20(14-22(21)31-32)29-26(33)24-12-11-23(34-24)18-5-4-6-19(27)25(18)28/h4-14H,3H2,1-2H3,(H,29,33).
What are the key properties of 5-(2,3-dichlorophenyl)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide?
5-(2,3-dichlorophenyl)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide has a molecular weight of 491.38 g/mol, XLogP of 7.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 17117300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).