5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide

C18H16ClNO4 — CID 9269145

IUPAC5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3cc(Cl)ccc3o2)cc1OC
InChIInChI=1S/C18H16ClNO4/c1-22-15-5-3-11(7-16(15)23-2)10-20-18(21)17-9-12-8-13(19)4-6-14(12)24-17/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyXHUPNBNXUMVJMB-UHFFFAOYSA-N
MW345.78 g/mol
LogP4.03
Rot. Bonds5

About 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide

5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 9269145) has the molecular formula C18H16ClNO4 and a molecular weight of 345.78 g/mol. Its IUPAC name is 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID9269145
Molecular FormulaC18H16ClNO4
Molecular Weight345.78 g/mol
Exact Mass345.08
IUPAC Name5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3cc(Cl)ccc3o2)cc1OC
InChIInChI=1S/C18H16ClNO4/c1-22-15-5-3-11(7-16(15)23-2)10-20-18(21)17-9-12-8-13(19)4-6-14(12)24-17/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyXHUPNBNXUMVJMB-UHFFFAOYSA-N
XLogP4.03
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 51303988
5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 38294036
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-1-benzofuran-2-carboxamide
CID 9036179
5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 59661959
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide
CID 55474879
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 27998412
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 113207547
5-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391547
(5-chloro-1-benzofuran-2-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 9474957
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 19240981
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9483304
2-(4-chlorophenyl)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 112994111

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide (CID 9269145) is 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide is COc1ccc(CNC(=O)c2cc3cc(Cl)ccc3o2)cc1OC.
What is the InChIKey of 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is XHUPNBNXUMVJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4/c1-22-15-5-3-11(7-16(15)23-2)10-20-18(21)17-9-12-8-13(19)4-6-14(12)24-17/h3-9H,10H2,1-2H3,(H,20,21).
What are the key properties of 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 345.78 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9269145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).