N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C17H15F2NO3 — CID 111478299

IUPACN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC(O)c1c(F)cccc1F)C1Cc2ccccc2O1
InChIInChI=1S/C17H15F2NO3/c18-11-5-3-6-12(19)16(11)13(21)9-20-17(22)15-8-10-4-1-2-7-14(10)23-15/h1-7,13,15,21H,8-9H2,(H,20,22)
InChIKeyMOHFQPNWFNLCLN-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.12
Rot. Bonds4

About N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 111478299) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID111478299
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC(O)c1c(F)cccc1F)C1Cc2ccccc2O1
InChIInChI=1S/C17H15F2NO3/c18-11-5-3-6-12(19)16(11)13(21)9-20-17(22)15-8-10-4-1-2-7-14(10)23-15/h1-7,13,15,21H,8-9H2,(H,20,22)
InChIKeyMOHFQPNWFNLCLN-UHFFFAOYSA-N
XLogP2.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 112522518
N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111477188
7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111566101
(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39956758
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 91762618
(2R)-N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9081021
N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107158766
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 113295190

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 111478299) is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCC(O)c1c(F)cccc1F)C1Cc2ccccc2O1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is MOHFQPNWFNLCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO3/c18-11-5-3-6-12(19)16(11)13(21)9-20-17(22)15-8-10-4-1-2-7-14(10)23-15/h1-7,13,15,21H,8-9H2,(H,20,22).
What are the key properties of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 319.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111478299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).