5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide

C25H18N2O4 — CID 6129980

IUPAC5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(/C=C/c2ccccc2)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C25H18N2O4/c28-25(24-17-16-23(31-24)20-10-14-22(15-11-20)27(29)30)26-21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18/h1-17H,(H,26,28)/b7-6+
InChIKeyPJRGBGQNIOPQNG-VOTSOKGWSA-N
MW410.43 g/mol
LogP6.28
Rot. Bonds6

About 5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide

5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide (PubChem CID 6129980) has the molecular formula C25H18N2O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide
PubChem CID6129980
Molecular FormulaC25H18N2O4
Molecular Weight410.43 g/mol
Exact Mass410.13
IUPAC Name5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(/C=C/c2ccccc2)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C25H18N2O4/c28-25(24-17-16-23(31-24)20-10-14-22(15-11-20)27(29)30)26-21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18/h1-17H,(H,26,28)/b7-6+
InChIKeyPJRGBGQNIOPQNG-VOTSOKGWSA-N
XLogP6.28
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.43
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 3127976
5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 7962022
N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 773409
5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide
CID 9452991
N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 90448753
N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110113
5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide
CID 2914733
N-(3,3-diphenylpropyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 2480078
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 59654726
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide
CID 53327660

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide (CID 6129980) is 5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(/C=C/c2ccccc2)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of 5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide?
The InChIKey is PJRGBGQNIOPQNG-VOTSOKGWSA-N. The full InChI is InChI=1S/C25H18N2O4/c28-25(24-17-16-23(31-24)20-10-14-22(15-11-20)27(29)30)26-21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18/h1-17H,(H,26,28)/b7-6+.
What are the key properties of 5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide?
5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 6129980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).