N-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide

C16H11FN2O3 — CID 142812091

IUPACN-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide
SMILESO=CNc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C16H11FN2O3/c17-10-5-7-11(8-6-10)19-16(21)15-14(18-9-20)12-3-1-2-4-13(12)22-15/h1-9H,(H,18,20)(H,19,21)
InChIKeyFSIOGNSABFACMR-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.39
Rot. Bonds4

About N-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide

N-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide (PubChem CID 142812091) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide
PubChem CID142812091
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC NameN-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide
SMILESO=CNc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C16H11FN2O3/c17-10-5-7-11(8-6-10)19-16(21)15-14(18-9-20)12-3-1-2-4-13(12)22-15/h1-9H,(H,18,20)(H,19,21)
InChIKeyFSIOGNSABFACMR-UHFFFAOYSA-N
XLogP3.39
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 16814568
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
3-(cyclopentanecarbonylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 3241032
N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46300000
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 10238043
3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7204931
3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide
CID 7501768
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 7159647
N-(3-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide
CID 93153212
N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
CID 71962835

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide (CID 142812091) is N-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide is O=CNc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12.
What is the InChIKey of N-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide?
The InChIKey is FSIOGNSABFACMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c17-10-5-7-11(8-6-10)19-16(21)15-14(18-9-20)12-3-1-2-4-13(12)22-15/h1-9H,(H,18,20)(H,19,21).
What are the key properties of N-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide?
N-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide has a molecular weight of 298.27 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide is sourced from PubChem (CID 142812091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).