N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide

C16H11FN2O4 — CID 9076846

IUPACN-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)oc2ccccc12
InChIInChI=1S/C16H11FN2O4/c1-9-11-4-2-3-5-14(11)23-15(9)16(20)18-10-6-7-12(17)13(8-10)19(21)22/h2-8H,1H3,(H,18,20)
InChIKeyGMYRFFFBHSCICO-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.04
Rot. Bonds3

About N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide

N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9076846) has the molecular formula C16H11FN2O4 and a molecular weight of 314.27 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9076846
Molecular FormulaC16H11FN2O4
Molecular Weight314.27 g/mol
Exact Mass314.07
IUPAC NameN-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)oc2ccccc12
InChIInChI=1S/C16H11FN2O4/c1-9-11-4-2-3-5-14(11)23-15(9)16(20)18-10-6-7-12(17)13(8-10)19(21)22/h2-8H,1H3,(H,18,20)
InChIKeyGMYRFFFBHSCICO-UHFFFAOYSA-N
XLogP4.04
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide
CID 9076856
N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 9076976
N-(4-fluoro-3-nitrophenyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 4282313
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26813929
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2661314
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide
CID 27160886
3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26874015
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464583
3-[(3,4-difluorobenzoyl)amino]-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 16814793

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 9076846) is N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)oc2ccccc12.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is GMYRFFFBHSCICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O4/c1-9-11-4-2-3-5-14(11)23-15(9)16(20)18-10-6-7-12(17)13(8-10)19(21)22/h2-8H,1H3,(H,18,20).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide?
N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 314.27 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9076846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).