3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide

C17H14F2N2O4 — CID 143084408

IUPAC3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide
SMILESCOc1ccc2c(-c3ccc(F)c(F)c3)c(C(N)=O)oc2c1.NC=O
InChIInChI=1S/C16H11F2NO3.CH3NO/c1-21-9-3-4-10-13(7-9)22-15(16(19)20)14(10)8-2-5-11(17)12(18)6-8;2-1-3/h2-7H,1H3,(H2,19,20);1H,(H2,2,3)
InChIKeyBIIPHIRPOAAFPY-UHFFFAOYSA-N
MW348.31 g/mol
LogP2.59
Rot. Bonds3

About 3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide

3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide (PubChem CID 143084408) has the molecular formula C17H14F2N2O4 and a molecular weight of 348.31 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide
PubChem CID143084408
Molecular FormulaC17H14F2N2O4
Molecular Weight348.31 g/mol
Exact Mass348.09
IUPAC Name3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide
SMILESCOc1ccc2c(-c3ccc(F)c(F)c3)c(C(N)=O)oc2c1.NC=O
InChIInChI=1S/C16H11F2NO3.CH3NO/c1-21-9-3-4-10-13(7-9)22-15(16(19)20)14(10)8-2-5-11(17)12(18)6-8;2-1-3/h2-7H,1H3,(H2,19,20);1H,(H2,2,3)
InChIKeyBIIPHIRPOAAFPY-UHFFFAOYSA-N
XLogP2.59
TPSA108.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde
CID 154079625
3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide
CID 23148999
[6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 22592534
3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 135358335
3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid
CID 54725263
methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444
1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone
CID 139791589
2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 70689704
2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran
CID 154708443
9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene
CID 87458156
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-[(4Z)-4-hydroxyimino-7-methoxychromen-2-yl]methanone
CID 167432165
3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde
CID 135980369

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide?
The IUPAC name of 3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide (CID 143084408) is 3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide is COc1ccc2c(-c3ccc(F)c(F)c3)c(C(N)=O)oc2c1.NC=O.
What is the InChIKey of 3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide?
The InChIKey is BIIPHIRPOAAFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO3.CH3NO/c1-21-9-3-4-10-13(7-9)22-15(16(19)20)14(10)8-2-5-11(17)12(18)6-8;2-1-3/h2-7H,1H3,(H2,19,20);1H,(H2,2,3).
What are the key properties of 3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide?
3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide has a molecular weight of 348.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide is sourced from PubChem (CID 143084408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).