[[4-(benzoyloxycarbamoyl)furan-3-carbonyl]amino] benzoate

C20H14N2O7 — CID 569419

IUPAC[[4-(benzoyloxycarbamoyl)furan-3-carbonyl]amino] benzoate
SMILESO=C(ONC(=O)c1cocc1C(=O)NOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14N2O7/c23-17(21-28-19(25)13-7-3-1-4-8-13)15-11-27-12-16(15)18(24)22-29-20(26)14-9-5-2-6-10-14/h1-12H,(H,21,23)(H,22,24)
InChIKeyWMQMCCWJVGDDRT-UHFFFAOYSA-N
MW394.34 g/mol
LogP2.28
Rot. Bonds4

About [[4-(benzoyloxycarbamoyl)furan-3-carbonyl]amino] benzoate

[[4-(benzoyloxycarbamoyl)furan-3-carbonyl]amino] benzoate (PubChem CID 569419) has the molecular formula C20H14N2O7 and a molecular weight of 394.34 g/mol. Its IUPAC name is [[4-(benzoyloxycarbamoyl)furan-3-carbonyl]amino] benzoate.

Molecular Properties

Compound Name[[4-(benzoyloxycarbamoyl)furan-3-carbonyl]amino] benzoate
PubChem CID569419
Molecular FormulaC20H14N2O7
Molecular Weight394.34 g/mol
Exact Mass394.08
IUPAC Name[[4-(benzoyloxycarbamoyl)furan-3-carbonyl]amino] benzoate
SMILESO=C(ONC(=O)c1cocc1C(=O)NOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14N2O7/c23-17(21-28-19(25)13-7-3-1-4-8-13)15-11-27-12-16(15)18(24)22-29-20(26)14-9-5-2-6-10-14/h1-12H,(H,21,23)(H,22,24)
InChIKeyWMQMCCWJVGDDRT-UHFFFAOYSA-N
XLogP2.28
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino] benzoate
CID 174990293
[(2-methoxy-2-oxoacetyl)amino] benzoate
CID 152508358
benzamido 2-methylbenzoate
CID 5260358
[[8-(benzoyloxyamino)-8-oxooctanoyl]amino] benzoate
CID 569846
5-benzamidooxycarbonyl-2-methylbenzoic acid
CID 174695759
[[(2S)-2-amino-3-hydroxypropanoyl]amino] benzoate
CID 86740598
(1-ethoxyethenylamino) benzoate
CID 123459166
benzamido thiophene-2-carboxylate
CID 2804175
(1,1,2,2,2-pentafluoroethoxycarbonylamino) benzoate
CID 154510965
benzamido acetate;ethane
CID 91379738
[[4,6-bis(benzoyloxyamino)-1,3,5-triazin-2-yl]amino] benzoate
CID 90935192
CID 157228504
CID 157228504

Frequently Asked Questions

What is the IUPAC name of [[4-(benzoyloxycarbamoyl)furan-3-carbonyl]amino] benzoate?
The IUPAC name of [[4-(benzoyloxycarbamoyl)furan-3-carbonyl]amino] benzoate (CID 569419) is [[4-(benzoyloxycarbamoyl)furan-3-carbonyl]amino] benzoate.
What is the SMILES notation for [[4-(benzoyloxycarbamoyl)furan-3-carbonyl]amino] benzoate?
The canonical SMILES for [[4-(benzoyloxycarbamoyl)furan-3-carbonyl]amino] benzoate is O=C(ONC(=O)c1cocc1C(=O)NOC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [[4-(benzoyloxycarbamoyl)furan-3-carbonyl]amino] benzoate?
The InChIKey is WMQMCCWJVGDDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O7/c23-17(21-28-19(25)13-7-3-1-4-8-13)15-11-27-12-16(15)18(24)22-29-20(26)14-9-5-2-6-10-14/h1-12H,(H,21,23)(H,22,24).
What are the key properties of [[4-(benzoyloxycarbamoyl)furan-3-carbonyl]amino] benzoate?
[[4-(benzoyloxycarbamoyl)furan-3-carbonyl]amino] benzoate has a molecular weight of 394.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(benzoyloxycarbamoyl)furan-3-carbonyl]amino] benzoate is sourced from PubChem (CID 569419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).