N-[(3,4-difluorophenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide

C21H14F2N2O2 — CID 46943597

IUPACN-[(3,4-difluorophenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cccc2c(-c3cccnc3)coc12
InChIInChI=1S/C21H14F2N2O2/c22-18-7-6-13(9-19(18)23)10-25-21(26)16-5-1-4-15-17(12-27-20(15)16)14-3-2-8-24-11-14/h1-9,11-12H,10H2,(H,25,26)
InChIKeyYHFHAPDUFFXHSI-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.70
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide

N-[(3,4-difluorophenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide (PubChem CID 46943597) has the molecular formula C21H14F2N2O2 and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide
PubChem CID46943597
Molecular FormulaC21H14F2N2O2
Molecular Weight364.35 g/mol
Exact Mass364.10
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cccc2c(-c3cccnc3)coc12
InChIInChI=1S/C21H14F2N2O2/c22-18-7-6-13(9-19(18)23)10-25-21(26)16-5-1-4-15-17(12-27-20(15)16)14-3-2-8-24-11-14/h1-9,11-12H,10H2,(H,25,26)
InChIKeyYHFHAPDUFFXHSI-UHFFFAOYSA-N
XLogP4.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81227434
3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 66482974
N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924303
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 59362406
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
N-[(3,4-difluorophenyl)methyl]-2-(prop-2-ynylamino)pyridine-3-carboxamide
CID 86669490
N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide
CID 62661139
N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide
CID 140591693
3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide
CID 115930472
5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide
CID 103612091
N-(2-phenylethyl)-4-pyridin-3-yl-1-benzofuran-7-carboxamide
CID 46944079
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3494554

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide (CID 46943597) is N-[(3,4-difluorophenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1cccc2c(-c3cccnc3)coc12.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide?
The InChIKey is YHFHAPDUFFXHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O2/c22-18-7-6-13(9-19(18)23)10-25-21(26)16-5-1-4-15-17(12-27-20(15)16)14-3-2-8-24-11-14/h1-9,11-12H,10H2,(H,25,26).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide?
N-[(3,4-difluorophenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide has a molecular weight of 364.35 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide is sourced from PubChem (CID 46943597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).