7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide

C15H10Cl2FNO2 — CID 11953070

IUPAC7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)C1Cc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C15H10Cl2FNO2/c16-10-2-1-3-11(17)13(10)9-6-8(18)4-7-5-12(15(19)20)21-14(7)9/h1-4,6,12H,5H2,(H2,19,20)
InChIKeyVAUNFUDTLQDKDI-UHFFFAOYSA-N
MW326.15 g/mol
LogP3.59
Rot. Bonds2

About 7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide

7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 11953070) has the molecular formula C15H10Cl2FNO2 and a molecular weight of 326.15 g/mol. Its IUPAC name is 7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID11953070
Molecular FormulaC15H10Cl2FNO2
Molecular Weight326.15 g/mol
Exact Mass325.01
IUPAC Name7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)C1Cc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C15H10Cl2FNO2/c16-10-2-1-3-11(17)13(10)9-6-8(18)4-7-5-12(15(19)20)21-14(7)9/h1-4,6,12H,5H2,(H2,19,20)
InChIKeyVAUNFUDTLQDKDI-UHFFFAOYSA-N
XLogP3.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[7-(2,4-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11404165
(+/-)-1-[7-(2-Chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11288935
[7-(2,6-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11426940
[(2R)-7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11948290
7-(2,6-Dichlorophenyl)-5-fluoro-4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxamide
CID 11953071
7-(2,6-Dichloro-4-hydroxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 11953072
[(2S)-7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 15941526
(+/-)-{[6-Fluoro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl}amine
CID 68961969
[(2R)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 69346311
5-Chloro-2,3-dihydronaphtho[1,2-b]furan-2-carboxamide
CID 129887884
[(2S)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129382545
[(2R)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129382546

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide (CID 11953070) is 7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide is NC(=O)C1Cc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1.
What is the InChIKey of 7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is VAUNFUDTLQDKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FNO2/c16-10-2-1-3-11(17)13(10)9-6-8(18)4-7-5-12(15(19)20)21-14(7)9/h1-4,6,12H,5H2,(H2,19,20).
What are the key properties of 7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 326.15 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 11953070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).