N-[3-[(3-acetylphenyl)carbamoyl]phenyl]furan-2-carboxamide

C20H16N2O4 — CID 894360

IUPACN-[3-[(3-acetylphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1
InChIInChI=1S/C20H16N2O4/c1-13(23)14-5-2-7-16(11-14)21-19(24)15-6-3-8-17(12-15)22-20(25)18-9-4-10-26-18/h2-12H,1H3,(H,21,24)(H,22,25)
InChIKeyQJSAAELTQCIJGW-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.99
Rot. Bonds5

About N-[3-[(3-acetylphenyl)carbamoyl]phenyl]furan-2-carboxamide

N-[3-[(3-acetylphenyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 894360) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[3-[(3-acetylphenyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-acetylphenyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID894360
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC NameN-[3-[(3-acetylphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1
InChIInChI=1S/C20H16N2O4/c1-13(23)14-5-2-7-16(11-14)21-19(24)15-6-3-8-17(12-15)22-20(25)18-9-4-10-26-18/h2-12H,1H3,(H,21,24)(H,22,25)
InChIKeyQJSAAELTQCIJGW-UHFFFAOYSA-N
XLogP3.99
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-acetylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(3-acetylphenyl)carbamoyl]phenyl]furan-2-carboxamide (CID 894360) is N-[3-[(3-acetylphenyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(3-acetylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(3-acetylphenyl)carbamoyl]phenyl]furan-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1.
What is the InChIKey of N-[3-[(3-acetylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is QJSAAELTQCIJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-13(23)14-5-2-7-16(11-14)21-19(24)15-6-3-8-17(12-15)22-20(25)18-9-4-10-26-18/h2-12H,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-[(3-acetylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
N-[3-[(3-acetylphenyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-acetylphenyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 894360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).