N-(4-fluorophenyl)-N'-(1-oxo-3H-2-benzofuran-5-yl)oxamide

C16H11FN2O4 — CID 57390785

IUPACN-(4-fluorophenyl)-N'-(1-oxo-3H-2-benzofuran-5-yl)oxamide
SMILESO=C(Nc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)COC2=O
InChIInChI=1S/C16H11FN2O4/c17-10-1-3-11(4-2-10)18-14(20)15(21)19-12-5-6-13-9(7-12)8-23-16(13)22/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyULNXIJLFRKOCDZ-UHFFFAOYSA-N
MW314.27 g/mol
LogP2.07
Rot. Bonds2

About N-(4-fluorophenyl)-N'-(1-oxo-3H-2-benzofuran-5-yl)oxamide

N-(4-fluorophenyl)-N'-(1-oxo-3H-2-benzofuran-5-yl)oxamide (PubChem CID 57390785) has the molecular formula C16H11FN2O4 and a molecular weight of 314.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-(1-oxo-3H-2-benzofuran-5-yl)oxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-(1-oxo-3H-2-benzofuran-5-yl)oxamide
PubChem CID57390785
Molecular FormulaC16H11FN2O4
Molecular Weight314.27 g/mol
Exact Mass314.07
IUPAC NameN-(4-fluorophenyl)-N'-(1-oxo-3H-2-benzofuran-5-yl)oxamide
SMILESO=C(Nc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)COC2=O
InChIInChI=1S/C16H11FN2O4/c17-10-1-3-11(4-2-10)18-14(20)15(21)19-12-5-6-13-9(7-12)8-23-16(13)22/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyULNXIJLFRKOCDZ-UHFFFAOYSA-N
XLogP2.07
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-(benzoylamino)benzoate
CID 12914
4-Phenylacetylamino-benzoic acid methyl ester
CID 669121
4-Chloro-N-(3-oxo-1,3-dihydro-isobenzofuran-5-yl)-benzamide
CID 738090
2-Chloro-N-(1,3-dihydro-3-oxo-5-isobenzofuranyl)benzamide
CID 738094
N-(4-Ethoxycarbonylphenyl)phthalamic acid
CID 4103042
Ethyl 4-[(2-methylbenzoyl)amino]benzoate
CID 689910
1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea
CID 808394
Methyl 4-[(1,3-dioxoisoindol-5-yl)carbamoyl]benzoate
CID 823524
2-{[(3-Oxo-1,3-dihydro-2-benzofuran-5-yl)amino]carbonyl}benzoic acid
CID 2810938
adamantanyl-N-(1-oxo(3-hydroisobenzofuran-5-yl))carboxamide
CID 4664941
2-[[3-[(4-Pentoxycarbonylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 3110120
N-(3-oxo-1H-2-benzofuran-5-yl)cyclopropanecarboxamide
CID 1141310

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-(1-oxo-3H-2-benzofuran-5-yl)oxamide?
The IUPAC name of N-(4-fluorophenyl)-N'-(1-oxo-3H-2-benzofuran-5-yl)oxamide (CID 57390785) is N-(4-fluorophenyl)-N'-(1-oxo-3H-2-benzofuran-5-yl)oxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-(1-oxo-3H-2-benzofuran-5-yl)oxamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-(1-oxo-3H-2-benzofuran-5-yl)oxamide is O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)COC2=O.
What is the InChIKey of N-(4-fluorophenyl)-N'-(1-oxo-3H-2-benzofuran-5-yl)oxamide?
The InChIKey is ULNXIJLFRKOCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O4/c17-10-1-3-11(4-2-10)18-14(20)15(21)19-12-5-6-13-9(7-12)8-23-16(13)22/h1-7H,8H2,(H,18,20)(H,19,21).
What are the key properties of N-(4-fluorophenyl)-N'-(1-oxo-3H-2-benzofuran-5-yl)oxamide?
N-(4-fluorophenyl)-N'-(1-oxo-3H-2-benzofuran-5-yl)oxamide has a molecular weight of 314.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-(1-oxo-3H-2-benzofuran-5-yl)oxamide is sourced from PubChem (CID 57390785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).