methyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate

C17H13F2NO4 — CID 24659375

IUPACmethyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate
SMILESCOC(=O)c1cc(NC(=O)C2Cc3ccccc3O2)c(F)cc1F
InChIInChI=1S/C17H13F2NO4/c1-23-17(22)10-7-13(12(19)8-11(10)18)20-16(21)15-6-9-4-2-3-5-14(9)24-15/h2-5,7-8,15H,6H2,1H3,(H,20,21)
InChIKeyVXYVOWKMLQJCMV-UHFFFAOYSA-N
MW333.29 g/mol
LogP2.69
Rot. Bonds3

About methyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate

methyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate (PubChem CID 24659375) has the molecular formula C17H13F2NO4 and a molecular weight of 333.29 g/mol. Its IUPAC name is methyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate.

Molecular Properties

Compound Namemethyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate
PubChem CID24659375
Molecular FormulaC17H13F2NO4
Molecular Weight333.29 g/mol
Exact Mass333.08
IUPAC Namemethyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate
SMILESCOC(=O)c1cc(NC(=O)C2Cc3ccccc3O2)c(F)cc1F
InChIInChI=1S/C17H13F2NO4/c1-23-17(22)10-7-13(12(19)8-11(10)18)20-16(21)15-6-9-4-2-3-5-14(9)24-15/h2-5,7-8,15H,6H2,1H3,(H,20,21)
InChIKeyVXYVOWKMLQJCMV-UHFFFAOYSA-N
XLogP2.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate with MolForge

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Related Compounds

methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 95979627
N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 166224450
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083841
N-(2-amino-4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107697069
N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270
N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42926742
(2R)-N'-(2-fluorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9084789
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17438968
(2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9077488
methyl 2-[(6-fluoro-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoate
CID 4904004

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate?
The IUPAC name of methyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate (CID 24659375) is methyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate.
What is the SMILES notation for methyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate?
The canonical SMILES for methyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate is COC(=O)c1cc(NC(=O)C2Cc3ccccc3O2)c(F)cc1F.
What is the InChIKey of methyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate?
The InChIKey is VXYVOWKMLQJCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO4/c1-23-17(22)10-7-13(12(19)8-11(10)18)20-16(21)15-6-9-4-2-3-5-14(9)24-15/h2-5,7-8,15H,6H2,1H3,(H,20,21).
What are the key properties of methyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate?
methyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate has a molecular weight of 333.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate is sourced from PubChem (CID 24659375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).