N-[(E)-(3-methylphenyl)methylideneamino]-5-(2-nitrophenyl)furan-2-carboxamide

C19H15N3O4 — CID 50905982

IUPACN-[(E)-(3-methylphenyl)methylideneamino]-5-(2-nitrophenyl)furan-2-carboxamide
SMILESCc1cccc(/C=N/NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1
InChIInChI=1S/C19H15N3O4/c1-13-5-4-6-14(11-13)12-20-21-19(23)18-10-9-17(26-18)15-7-2-3-8-16(15)22(24)25/h2-12H,1H3,(H,21,23)/b20-12+
InChIKeyALVMOVOHLSQVPB-UDWIEESQSA-N
MW349.35 g/mol
LogP3.93
Rot. Bonds5

About N-[(E)-(3-methylphenyl)methylideneamino]-5-(2-nitrophenyl)furan-2-carboxamide

N-[(E)-(3-methylphenyl)methylideneamino]-5-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 50905982) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[(E)-(3-methylphenyl)methylideneamino]-5-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-methylphenyl)methylideneamino]-5-(2-nitrophenyl)furan-2-carboxamide
PubChem CID50905982
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC NameN-[(E)-(3-methylphenyl)methylideneamino]-5-(2-nitrophenyl)furan-2-carboxamide
SMILESCc1cccc(/C=N/NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1
InChIInChI=1S/C19H15N3O4/c1-13-5-4-6-14(11-13)12-20-21-19(23)18-10-9-17(26-18)15-7-2-3-8-16(15)22(24)25/h2-12H,1H3,(H,21,23)/b20-12+
InChIKeyALVMOVOHLSQVPB-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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Related Compounds

CID 6879946
CID 6879946
CID 6874281
CID 6874281
CID 6876329
CID 6876329
CID 9564854
CID 9564854
CID 6882577
CID 6882577
CID 5719797
CID 5719797
CID 6878922
CID 6878922
CID 6883805
CID 6883805
CID 6888132
CID 6888132
CID 5945190
CID 5945190
CID 6874283
CID 6874283
CID 5342416
CID 5342416

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-5-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-5-(2-nitrophenyl)furan-2-carboxamide (CID 50905982) is N-[(E)-(3-methylphenyl)methylideneamino]-5-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-methylphenyl)methylideneamino]-5-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-[(E)-(3-methylphenyl)methylideneamino]-5-(2-nitrophenyl)furan-2-carboxamide is Cc1cccc(/C=N/NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1.
What is the InChIKey of N-[(E)-(3-methylphenyl)methylideneamino]-5-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is ALVMOVOHLSQVPB-UDWIEESQSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-13-5-4-6-14(11-13)12-20-21-19(23)18-10-9-17(26-18)15-7-2-3-8-16(15)22(24)25/h2-12H,1H3,(H,21,23)/b20-12+.
What are the key properties of N-[(E)-(3-methylphenyl)methylideneamino]-5-(2-nitrophenyl)furan-2-carboxamide?
N-[(E)-(3-methylphenyl)methylideneamino]-5-(2-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)-(3-methylphenyl)methylideneamino]-5-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 50905982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).