N-[(E)-(4-methylphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide

C19H15N3O4 — CID 53329255

IUPACN-[(E)-(4-methylphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1
InChIInChI=1S/C19H15N3O4/c1-13-2-4-14(5-3-13)12-20-21-19(23)18-11-10-17(26-18)15-6-8-16(9-7-15)22(24)25/h2-12H,1H3,(H,21,23)/b20-12+
InChIKeyWXZKPYVSYLUADN-UDWIEESQSA-N
MW349.35 g/mol
LogP3.93
Rot. Bonds5

About N-[(E)-(4-methylphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide

N-[(E)-(4-methylphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide (PubChem CID 53329255) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[(E)-(4-methylphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-methylphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide
PubChem CID53329255
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC NameN-[(E)-(4-methylphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1
InChIInChI=1S/C19H15N3O4/c1-13-2-4-14(5-3-13)12-20-21-19(23)18-11-10-17(26-18)15-6-8-16(9-7-15)22(24)25/h2-12H,1H3,(H,21,23)/b20-12+
InChIKeyWXZKPYVSYLUADN-UDWIEESQSA-N
XLogP3.93
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methylphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-[(E)-(4-methylphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide (CID 53329255) is N-[(E)-(4-methylphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-methylphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-[(E)-(4-methylphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide is Cc1ccc(/C=N/NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1.
What is the InChIKey of N-[(E)-(4-methylphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide?
The InChIKey is WXZKPYVSYLUADN-UDWIEESQSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-13-2-4-14(5-3-13)12-20-21-19(23)18-11-10-17(26-18)15-6-8-16(9-7-15)22(24)25/h2-12H,1H3,(H,21,23)/b20-12+.
What are the key properties of N-[(E)-(4-methylphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide?
N-[(E)-(4-methylphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methylphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 53329255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).