N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide

C18H14N2O4 — CID 880238

IUPACN-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H14N2O4/c21-15-9-7-14(8-10-15)19-17(22)12-3-5-13(6-4-12)20-18(23)16-2-1-11-24-16/h1-11,21H,(H,19,22)(H,20,23)
InChIKeyXDAGEGZLQGACTJ-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.49
Rot. Bonds4

About N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide

N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 880238) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID880238
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC NameN-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H14N2O4/c21-15-9-7-14(8-10-15)19-17(22)12-3-5-13(6-4-12)20-18(23)16-2-1-11-24-16/h1-11,21H,(H,19,22)(H,20,23)
InChIKeyXDAGEGZLQGACTJ-UHFFFAOYSA-N
XLogP3.49
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide (CID 880238) is N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(O)cc1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is XDAGEGZLQGACTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-15-9-7-14(8-10-15)19-17(22)12-3-5-13(6-4-12)20-18(23)16-2-1-11-24-16/h1-11,21H,(H,19,22)(H,20,23).
What are the key properties of N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 880238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).