N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide

C16H11FN2O2 — CID 79954013

IUPACN-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C16H11FN2O2/c17-14-3-4-15(12(6-14)7-18)19-16(20)10-1-2-11-8-21-9-13(11)5-10/h1-6H,8-9H2,(H,19,20)
InChIKeyNLUFZRZXGQAFSX-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.98
Rot. Bonds2

About N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide

N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 79954013) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID79954013
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC NameN-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C16H11FN2O2/c17-14-3-4-15(12(6-14)7-18)19-16(20)10-1-2-11-8-21-9-13(11)5-10/h1-6H,8-9H2,(H,19,20)
InChIKeyNLUFZRZXGQAFSX-UHFFFAOYSA-N
XLogP2.98
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 81484638
N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49156312
3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide
CID 82015912
N-(2-cyano-4-fluorophenyl)furan-3-carboxamide
CID 79954360
2-amino-N-(2-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 82685570
N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79503179
N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732681
N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 79954178
N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 79953680

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 79954013) is N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide is N#Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is NLUFZRZXGQAFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-14-3-4-15(12(6-14)7-18)19-16(20)10-1-2-11-8-21-9-13(11)5-10/h1-6H,8-9H2,(H,19,20).
What are the key properties of N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 282.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 79954013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).