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

C16H13F2NO2 — CID 112522518

IUPACN-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1c(F)cccc1F)C1Cc2ccccc2O1
InChIInChI=1S/C16H13F2NO2/c17-12-5-3-6-13(18)11(12)9-19-16(20)15-8-10-4-1-2-7-14(10)21-15/h1-7,15H,8-9H2,(H,19,20)
InChIKeyIVCSAIPSEVGJQG-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.58
Rot. Bonds3

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

N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 112522518) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID112522518
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1c(F)cccc1F)C1Cc2ccccc2O1
InChIInChI=1S/C16H13F2NO2/c17-12-5-3-6-13(18)11(12)9-19-16(20)15-8-10-4-1-2-7-14(10)21-15/h1-7,15H,8-9H2,(H,19,20)
InChIKeyIVCSAIPSEVGJQG-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111478299
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 16649113
(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9079755
N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43589376
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
(2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26705155
(2R)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26705156
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
(2R)-N'-(2-fluorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9084789
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 112522518) is N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCc1c(F)cccc1F)C1Cc2ccccc2O1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is IVCSAIPSEVGJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-12-5-3-6-13(18)11(12)9-19-16(20)15-8-10-4-1-2-7-14(10)21-15/h1-7,15H,8-9H2,(H,19,20).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 289.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 112522518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).