5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide

C17H14ClNO3 — CID 7992434

IUPAC5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1cccc(NC(=O)c2oc3ccc(Cl)cc3c2C)c1
InChIInChI=1S/C17H14ClNO3/c1-10-14-8-11(18)6-7-15(14)22-16(10)17(20)19-12-4-3-5-13(9-12)21-2/h3-9H,1-2H3,(H,19,20)
InChIKeySDZWISNVCPAKAV-UHFFFAOYSA-N
MW315.76 g/mol
LogP4.66
Rot. Bonds3

About 5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide

5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 7992434) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID7992434
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1cccc(NC(=O)c2oc3ccc(Cl)cc3c2C)c1
InChIInChI=1S/C17H14ClNO3/c1-10-14-8-11(18)6-7-15(14)22-16(10)17(20)19-12-4-3-5-13(9-12)21-2/h3-9H,1-2H3,(H,19,20)
InChIKeySDZWISNVCPAKAV-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

N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
CID 17489989
N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679149
5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 55812175
N-[3-(ethylcarbamoyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473266
5-(azepan-1-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246547
5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 55951792
5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4081908
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7930823
methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 974608
N-(2,3-dimethylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679062
N-(3-acetamido-2-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134019144

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 7992434) is 5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide is COc1cccc(NC(=O)c2oc3ccc(Cl)cc3c2C)c1.
What is the InChIKey of 5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is SDZWISNVCPAKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c1-10-14-8-11(18)6-7-15(14)22-16(10)17(20)19-12-4-3-5-13(9-12)21-2/h3-9H,1-2H3,(H,19,20).
What are the key properties of 5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
5-chloro-N-(3-methoxyphenyl)-3-methyl-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 5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7992434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).