7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide

C19H15ClN4O3 — CID 55850180

IUPAC7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2oc3c(Cl)cccc3c2C)n[nH]1
InChIInChI=1S/C19H15ClN4O3/c1-10-11-7-5-8-13(20)16(11)27-15(10)18(25)22-19-21-17(23-24-19)12-6-3-4-9-14(12)26-2/h3-9H,1-2H3,(H2,21,22,23,24,25)
InChIKeyIARNJSOPPXQHGM-UHFFFAOYSA-N
MW382.81 g/mol
LogP4.44
Rot. Bonds4

About 7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide

7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 55850180) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is 7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID55850180
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC Name7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2oc3c(Cl)cccc3c2C)n[nH]1
InChIInChI=1S/C19H15ClN4O3/c1-10-11-7-5-8-13(20)16(11)27-15(10)18(25)22-19-21-17(23-24-19)12-6-3-4-9-14(12)26-2/h3-9H,1-2H3,(H2,21,22,23,24,25)
InChIKeyIARNJSOPPXQHGM-UHFFFAOYSA-N
XLogP4.44
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-3-nitrobenzamide
CID 55646360
2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 55646062
3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide
CID 154858086
7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide
CID 8006377
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide
CID 55646004
3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide
CID 55850055
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylfuran-2-carboxamide
CID 122146782
N-[2-(1,3-benzothiazol-2-yl)phenyl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16549789
5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 166357435
5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide
CID 56508879
5-[(4-fluorophenoxy)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 60511213

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide (CID 55850180) is 7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide is COc1ccccc1-c1nc(NC(=O)c2oc3c(Cl)cccc3c2C)n[nH]1.
What is the InChIKey of 7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is IARNJSOPPXQHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c1-10-11-7-5-8-13(20)16(11)27-15(10)18(25)22-19-21-17(23-24-19)12-6-3-4-9-14(12)26-2/h3-9H,1-2H3,(H2,21,22,23,24,25).
What are the key properties of 7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide?
7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 382.81 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55850180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).