3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide

C19H12F3N3O4 — CID 6882593

IUPAC3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H12F3N3O4/c20-19(21,22)14-5-1-3-12(9-14)17-8-7-16(29-17)11-23-24-18(26)13-4-2-6-15(10-13)25(27)28/h1-11H,(H,24,26)/b23-11+
InChIKeyQOMDFAVPOXRYRH-FOKLQQMPSA-N
MW403.32 g/mol
LogP4.64
Rot. Bonds5

About 3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide

3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide (PubChem CID 6882593) has the molecular formula C19H12F3N3O4 and a molecular weight of 403.32 g/mol. Its IUPAC name is 3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
PubChem CID6882593
Molecular FormulaC19H12F3N3O4
Molecular Weight403.32 g/mol
Exact Mass403.08
IUPAC Name3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H12F3N3O4/c20-19(21,22)14-5-1-3-12(9-14)17-8-7-16(29-17)11-23-24-18(26)13-4-2-6-15(10-13)25(27)28/h1-11H,(H,24,26)/b23-11+
InChIKeyQOMDFAVPOXRYRH-FOKLQQMPSA-N
XLogP4.64
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.64
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'}

Analyze 3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 21211166
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide
CID 5440764
3-iodo-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846741
4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
CID 3603946
4-bromo-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
CID 40822435
2-(2-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 124551697
methyl 2-chloro-5-[5-[[(3-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 3980033
3-iodo-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846761
3-phenyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1H-pyrazole-5-carboxamide
CID 46925799
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 1421236
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5333131
N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-4-propoxybenzamide
CID 133169510

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide (CID 6882593) is 3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide is O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide?
The InChIKey is QOMDFAVPOXRYRH-FOKLQQMPSA-N. The full InChI is InChI=1S/C19H12F3N3O4/c20-19(21,22)14-5-1-3-12(9-14)17-8-7-16(29-17)11-23-24-18(26)13-4-2-6-15(10-13)25(27)28/h1-11H,(H,24,26)/b23-11+.
What are the key properties of 3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide?
3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide has a molecular weight of 403.32 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 6882593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).