N-acetyl-N-benzoyl-5-oxo-4-phenyl-2H-furan-3-carboxamide

C20H15NO5 — CID 155884585

IUPACN-acetyl-N-benzoyl-5-oxo-4-phenyl-2H-furan-3-carboxamide
SMILESCC(=O)N(C(=O)C1=C(c2ccccc2)C(=O)OC1)C(=O)c1ccccc1
InChIInChI=1S/C20H15NO5/c1-13(22)21(18(23)15-10-6-3-7-11-15)19(24)16-12-26-20(25)17(16)14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyNCKIVHPTSJKJOI-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.21
Rot. Bonds3

About N-acetyl-N-benzoyl-5-oxo-4-phenyl-2H-furan-3-carboxamide

N-acetyl-N-benzoyl-5-oxo-4-phenyl-2H-furan-3-carboxamide (PubChem CID 155884585) has the molecular formula C20H15NO5 and a molecular weight of 349.34 g/mol. Its IUPAC name is N-acetyl-N-benzoyl-5-oxo-4-phenyl-2H-furan-3-carboxamide.

Molecular Properties

Compound NameN-acetyl-N-benzoyl-5-oxo-4-phenyl-2H-furan-3-carboxamide
PubChem CID155884585
Molecular FormulaC20H15NO5
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC NameN-acetyl-N-benzoyl-5-oxo-4-phenyl-2H-furan-3-carboxamide
SMILESCC(=O)N(C(=O)C1=C(c2ccccc2)C(=O)OC1)C(=O)c1ccccc1
InChIInChI=1S/C20H15NO5/c1-13(22)21(18(23)15-10-6-3-7-11-15)19(24)16-12-26-20(25)17(16)14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyNCKIVHPTSJKJOI-UHFFFAOYSA-N
XLogP2.21
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-(Benzoyloxy)-1-methylbutyl)-N-methylbenzamide
CID 90020922
(4-Methoxycarbonylphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 8107755
N-benzoyltetrahydro-2-oxo-4-phenyl-3-furancarboxamide
CID 15536127
dimethyl (e)-2-[(N-benzoyl-N-t-butylamino)carbonyl]-2-butenedioate
CID 102187379
dipropan-2-yl (E)-2-[benzoyl(tert-butyl)carbamoyl]but-2-enedioate
CID 102187381
Ethyl 1-benzyl-4-[(3-methoxycarbonylphenyl)methyl]-5,5-dimethyl-2-oxopyrrole-3-carboxylate
CID 102251123
Carbamic acid, benzoyl(benzoyloxy)-, ethyl ester
CID 153775
ethyl 4-[1-(1-benzyl-3-methyl-5-oxo-2H-pyrrol-4-yl)ethenyl]benzoate
CID 46177233
O-(N-methylbenzamido)methyl benzoate
CID 85810586
ethyl (E)-4-[benzoyl(benzyl)amino]-4-oxobut-2-enoate
CID 102035584
diethyl (e)-2-[(N-benzoyl-N-t-butylamino)carbonyl]-2-butenedioate
CID 102187380
[(E)-3-benzamido-2-methyl-3-oxoprop-1-enyl] benzoate
CID 102207394

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-benzoyl-5-oxo-4-phenyl-2H-furan-3-carboxamide?
The IUPAC name of N-acetyl-N-benzoyl-5-oxo-4-phenyl-2H-furan-3-carboxamide (CID 155884585) is N-acetyl-N-benzoyl-5-oxo-4-phenyl-2H-furan-3-carboxamide.
What is the SMILES notation for N-acetyl-N-benzoyl-5-oxo-4-phenyl-2H-furan-3-carboxamide?
The canonical SMILES for N-acetyl-N-benzoyl-5-oxo-4-phenyl-2H-furan-3-carboxamide is CC(=O)N(C(=O)C1=C(c2ccccc2)C(=O)OC1)C(=O)c1ccccc1.
What is the InChIKey of N-acetyl-N-benzoyl-5-oxo-4-phenyl-2H-furan-3-carboxamide?
The InChIKey is NCKIVHPTSJKJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO5/c1-13(22)21(18(23)15-10-6-3-7-11-15)19(24)16-12-26-20(25)17(16)14-8-4-2-5-9-14/h2-11H,12H2,1H3.
What are the key properties of N-acetyl-N-benzoyl-5-oxo-4-phenyl-2H-furan-3-carboxamide?
N-acetyl-N-benzoyl-5-oxo-4-phenyl-2H-furan-3-carboxamide has a molecular weight of 349.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-benzoyl-5-oxo-4-phenyl-2H-furan-3-carboxamide is sourced from PubChem (CID 155884585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).