5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide

C24H16Cl2N4O3 — CID 1114201

IUPAC5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cc(Cl)ccc5Cl)o4)cc3n2)cc1
InChIInChI=1S/C24H16Cl2N4O3/c1-32-17-6-4-16(5-7-17)30-28-20-9-3-15(13-21(20)29-30)27-24(31)23-11-10-22(33-23)18-12-14(25)2-8-19(18)26/h2-13H,1H3,(H,27,31)
InChIKeyKGVCLEFRRVLJIM-UHFFFAOYSA-N
MW479.32 g/mol
LogP6.25
Rot. Bonds5

About 5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide

5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide (PubChem CID 1114201) has the molecular formula C24H16Cl2N4O3 and a molecular weight of 479.32 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide
PubChem CID1114201
Molecular FormulaC24H16Cl2N4O3
Molecular Weight479.32 g/mol
Exact Mass478.06
IUPAC Name5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cc(Cl)ccc5Cl)o4)cc3n2)cc1
InChIInChI=1S/C24H16Cl2N4O3/c1-32-17-6-4-16(5-7-17)30-28-20-9-3-15(13-21(20)29-30)27-24(31)23-11-10-22(33-23)18-12-14(25)2-8-19(18)26/h2-13H,1H3,(H,27,31)
InChIKeyKGVCLEFRRVLJIM-UHFFFAOYSA-N
XLogP6.25
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.32
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-Chlorophenyl)-N-(2-phenyl-2H-1,2,3-benzotriazol-5-YL)furan-2-carboxamide
CID 15991141
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
5-(2,5-dichlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
CID 1334850
N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)furan-2-carboxamide
CID 2273874
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-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
5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]furan-2-carboxamide
CID 3936389
N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-carboxamide
CID 15991064
3-chloro-N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-methoxybenzamide
CID 16034820

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide?
The IUPAC name of 5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide (CID 1114201) is 5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide?
The canonical SMILES for 5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide is COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cc(Cl)ccc5Cl)o4)cc3n2)cc1.
What is the InChIKey of 5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide?
The InChIKey is KGVCLEFRRVLJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N4O3/c1-32-17-6-4-16(5-7-17)30-28-20-9-3-15(13-21(20)29-30)27-24(31)23-11-10-22(33-23)18-12-14(25)2-8-19(18)26/h2-13H,1H3,(H,27,31).
What are the key properties of 5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide?
5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide has a molecular weight of 479.32 g/mol, XLogP of 6.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 1114201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).