N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide

C17H14ClNO3 — CID 78869079

IUPACN-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(Cl)c3C)oc12
InChIInChI=1S/C17H14ClNO3/c1-10-12(18)6-4-7-13(10)19-17(20)15-9-11-5-3-8-14(21-2)16(11)22-15/h3-9H,1-2H3,(H,19,20)
InChIKeyHESNAQUGWRLJKX-UHFFFAOYSA-N
MW315.76 g/mol
LogP4.66
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide

N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 78869079) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID78869079
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC NameN-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(Cl)c3C)oc12
InChIInChI=1S/C17H14ClNO3/c1-10-12(18)6-4-7-13(10)19-17(20)15-9-11-5-3-8-14(21-2)16(11)22-15/h3-9H,1-2H3,(H,19,20)
InChIKeyHESNAQUGWRLJKX-UHFFFAOYSA-N
XLogP4.66
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-(2-propan-2-yloxyphenyl)-1-benzofuran-2-carboxamide
CID 53281729
7-methoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 92643178
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-(2,3-dimethylphenyl)-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888863
N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 91527109
N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 122304022
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750
N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide
CID 19119023
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 1480056
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 122319384

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide (CID 78869079) is N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3cccc(Cl)c3C)oc12.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is HESNAQUGWRLJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c1-10-12(18)6-4-7-13(10)19-17(20)15-9-11-5-3-8-14(21-2)16(11)22-15/h3-9H,1-2H3,(H,19,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide?
N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 315.76 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 78869079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).