N-[2-[[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide

C27H19N3O3 — CID 53305919

IUPACN-[2-[[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESN#Cc1ccc(/C=C/c2ccc(NC(=O)c3ccccc3NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C27H19N3O3/c28-18-21-11-9-19(10-12-21)7-8-20-13-15-22(16-14-20)29-26(31)23-4-1-2-5-24(23)30-27(32)25-6-3-17-33-25/h1-17H,(H,29,31)(H,30,32)/b8-7+
InChIKeyUQHSUMNDQLSOGW-BQYQJAHWSA-N
MW433.47 g/mol
LogP5.83
Rot. Bonds6

About N-[2-[[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide

N-[2-[[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 53305919) has the molecular formula C27H19N3O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[2-[[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID53305919
Molecular FormulaC27H19N3O3
Molecular Weight433.47 g/mol
Exact Mass433.14
IUPAC NameN-[2-[[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESN#Cc1ccc(/C=C/c2ccc(NC(=O)c3ccccc3NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C27H19N3O3/c28-18-21-11-9-19(10-12-21)7-8-20-13-15-22(16-14-20)29-26(31)23-4-1-2-5-24(23)30-27(32)25-6-3-17-33-25/h1-17H,(H,29,31)(H,30,32)/b8-7+
InChIKeyUQHSUMNDQLSOGW-BQYQJAHWSA-N
XLogP5.83
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.47
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722967
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722971
[4-(furan-2-carbonylamino)phenyl] 4-cyanobenzenesulfonate
CID 30325925
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
CID 2958701
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 24536405
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 39887582
N-[2-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 6460363
N-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide
CID 1015757
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]furan-2-carboxamide
CID 134006943

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide (CID 53305919) is N-[2-[[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide is N#Cc1ccc(/C=C/c2ccc(NC(=O)c3ccccc3NC(=O)c3ccco3)cc2)cc1.
What is the InChIKey of N-[2-[[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is UQHSUMNDQLSOGW-BQYQJAHWSA-N. The full InChI is InChI=1S/C27H19N3O3/c28-18-21-11-9-19(10-12-21)7-8-20-13-15-22(16-14-20)29-26(31)23-4-1-2-5-24(23)30-27(32)25-6-3-17-33-25/h1-17H,(H,29,31)(H,30,32)/b8-7+.
What are the key properties of N-[2-[[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[2-[[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 53305919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).