N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide

C17H13F2NO3 — CID 7770218

IUPACN-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cc(F)ccc2F)oc2ccccc12
InChIInChI=1S/C17H13F2NO3/c1-22-9-12-11-4-2-3-5-15(11)23-16(12)17(21)20-14-8-10(18)6-7-13(14)19/h2-8H,9H2,1H3,(H,20,21)
InChIKeyKFJFPPSSCVNPGL-UHFFFAOYSA-N
MW317.29 g/mol
LogP4.11
Rot. Bonds4

About N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide

N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 7770218) has the molecular formula C17H13F2NO3 and a molecular weight of 317.29 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID7770218
Molecular FormulaC17H13F2NO3
Molecular Weight317.29 g/mol
Exact Mass317.09
IUPAC NameN-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cc(F)ccc2F)oc2ccccc12
InChIInChI=1S/C17H13F2NO3/c1-22-9-12-11-4-2-3-5-15(11)23-16(12)17(21)20-14-8-10(18)6-7-13(14)19/h2-8H,9H2,1H3,(H,20,21)
InChIKeyKFJFPPSSCVNPGL-UHFFFAOYSA-N
XLogP4.11
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 34188198
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55764550
3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
CID 30728400
N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55899409
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 30729033
N-(3-acetamido-4-fluorophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 24656109
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 7770218) is N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)Nc2cc(F)ccc2F)oc2ccccc12.
What is the InChIKey of N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is KFJFPPSSCVNPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO3/c1-22-9-12-11-4-2-3-5-15(11)23-16(12)17(21)20-14-8-10(18)6-7-13(14)19/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 317.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7770218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).