5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide

C25H19ClN4O3 — CID 3936389

IUPAC5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide
SMILESCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)cc1
InChIInChI=1S/C25H19ClN4O3/c1-15-13-21-22(29-30(28-21)18-7-9-19(32-2)10-8-18)14-20(15)27-25(31)24-12-11-23(33-24)16-3-5-17(26)6-4-16/h3-14H,1-2H3,(H,27,31)
InChIKeyBOVYZWMDNIVSMN-UHFFFAOYSA-N
MW458.91 g/mol
LogP5.90
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide

5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide (PubChem CID 3936389) has the molecular formula C25H19ClN4O3 and a molecular weight of 458.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide
PubChem CID3936389
Molecular FormulaC25H19ClN4O3
Molecular Weight458.91 g/mol
Exact Mass458.11
IUPAC Name5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide
SMILESCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)cc1
InChIInChI=1S/C25H19ClN4O3/c1-15-13-21-22(29-30(28-21)18-7-9-19(32-2)10-8-18)14-20(15)27-25(31)24-12-11-23(33-24)16-3-5-17(26)6-4-16/h3-14H,1-2H3,(H,27,31)
InChIKeyBOVYZWMDNIVSMN-UHFFFAOYSA-N
XLogP5.90
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.91
LogP ≤ 55.90
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
N-[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]furan-2-carboxamide
CID 661545
5-(2,5-Dichlorophenyl)-N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-YL]furan-2-carboxamide
CID 1114201
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-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-furamide
CID 738661
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide (CID 3936389) is 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide is COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide?
The InChIKey is BOVYZWMDNIVSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O3/c1-15-13-21-22(29-30(28-21)18-7-9-19(32-2)10-8-18)14-20(15)27-25(31)24-12-11-23(33-24)16-3-5-17(26)6-4-16/h3-14H,1-2H3,(H,27,31).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide?
5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide has a molecular weight of 458.91 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 3936389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).