N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide

C22H15ClN4O3 — CID 15991064

IUPACN-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5o4)cc3n2)cc1Cl
InChIInChI=1S/C22H15ClN4O3/c1-29-20-9-7-15(12-16(20)23)27-25-17-8-6-14(11-18(17)26-27)24-22(28)21-10-13-4-2-3-5-19(13)30-21/h2-12H,1H3,(H,24,28)
InChIKeyGKXRLOHSWFITHX-UHFFFAOYSA-N
MW418.84 g/mol
LogP5.08
Rot. Bonds4

About N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide

N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide (PubChem CID 15991064) has the molecular formula C22H15ClN4O3 and a molecular weight of 418.84 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide
PubChem CID15991064
Molecular FormulaC22H15ClN4O3
Molecular Weight418.84 g/mol
Exact Mass418.08
IUPAC NameN-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5o4)cc3n2)cc1Cl
InChIInChI=1S/C22H15ClN4O3/c1-29-20-9-7-15(12-16(20)23)27-25-17-8-6-14(11-18(17)26-27)24-22(28)21-10-13-4-2-3-5-19(13)30-21/h2-12H,1H3,(H,24,28)
InChIKeyGKXRLOHSWFITHX-UHFFFAOYSA-N
XLogP5.08
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.84
LogP ≤ 55.08
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
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]-4-ethoxybenzamide
CID 16034446

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide (CID 15991064) is N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide is COc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5o4)cc3n2)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide?
The InChIKey is GKXRLOHSWFITHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O3/c1-29-20-9-7-15(12-16(20)23)27-25-17-8-6-14(11-18(17)26-27)24-22(28)21-10-13-4-2-3-5-19(13)30-21/h2-12H,1H3,(H,24,28).
What are the key properties of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide?
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide has a molecular weight of 418.84 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 15991064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).