[4-[(4-methylphenyl)carbamoyl]phenyl] furan-2-carboxylate

C19H15NO4 — CID 725089

IUPAC[4-[(4-methylphenyl)carbamoyl]phenyl] furan-2-carboxylate
SMILESCc1ccc(NC(=O)c2ccc(OC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C19H15NO4/c1-13-4-8-15(9-5-13)20-18(21)14-6-10-16(11-7-14)24-19(22)17-3-2-12-23-17/h2-12H,1H3,(H,20,21)
InChIKeyZAIVPCBDPAIPNN-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.06
Rot. Bonds4

About [4-[(4-methylphenyl)carbamoyl]phenyl] furan-2-carboxylate

[4-[(4-methylphenyl)carbamoyl]phenyl] furan-2-carboxylate (PubChem CID 725089) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is [4-[(4-methylphenyl)carbamoyl]phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[4-[(4-methylphenyl)carbamoyl]phenyl] furan-2-carboxylate
PubChem CID725089
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name[4-[(4-methylphenyl)carbamoyl]phenyl] furan-2-carboxylate
SMILESCc1ccc(NC(=O)c2ccc(OC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C19H15NO4/c1-13-4-8-15(9-5-13)20-18(21)14-6-10-16(11-7-14)24-19(22)17-3-2-12-23-17/h2-12H,1H3,(H,20,21)
InChIKeyZAIVPCBDPAIPNN-UHFFFAOYSA-N
XLogP4.06
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 204987
CID 204987
CID 689937
CID 689937
CID 888533
CID 888533
CID 902569
CID 902569
CID 2338125
CID 2338125
CID 4877901
CID 4877901
CID 5730576
CID 5730576
CID 8283075
CID 8283075
CID 17403008
CID 17403008
CID 831035
CID 831035
CID 1269690
CID 1269690
CID 1503622
CID 1503622

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)carbamoyl]phenyl] furan-2-carboxylate?
The IUPAC name of [4-[(4-methylphenyl)carbamoyl]phenyl] furan-2-carboxylate (CID 725089) is [4-[(4-methylphenyl)carbamoyl]phenyl] furan-2-carboxylate.
What is the SMILES notation for [4-[(4-methylphenyl)carbamoyl]phenyl] furan-2-carboxylate?
The canonical SMILES for [4-[(4-methylphenyl)carbamoyl]phenyl] furan-2-carboxylate is Cc1ccc(NC(=O)c2ccc(OC(=O)c3ccco3)cc2)cc1.
What is the InChIKey of [4-[(4-methylphenyl)carbamoyl]phenyl] furan-2-carboxylate?
The InChIKey is ZAIVPCBDPAIPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-13-4-8-15(9-5-13)20-18(21)14-6-10-16(11-7-14)24-19(22)17-3-2-12-23-17/h2-12H,1H3,(H,20,21).
What are the key properties of [4-[(4-methylphenyl)carbamoyl]phenyl] furan-2-carboxylate?
[4-[(4-methylphenyl)carbamoyl]phenyl] furan-2-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylphenyl)carbamoyl]phenyl] furan-2-carboxylate is sourced from PubChem (CID 725089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).