2-[(4-fluorobenzoyl)amino]-N-[(E)-2-(3-nitrophenyl)ethenyl]benzamide

C22H16FN3O4 — CID 6250072

IUPAC2-[(4-fluorobenzoyl)amino]-N-[(E)-2-(3-nitrophenyl)ethenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O4/c23-17-10-8-16(9-11-17)21(27)25-20-7-2-1-6-19(20)22(28)24-13-12-15-4-3-5-18(14-15)26(29)30/h1-14H,(H,24,28)(H,25,27)/b13-12+
InChIKeyLTJGCHXGTAGBFE-OUKQBFOZSA-N
MW405.39 g/mol
LogP4.39
Rot. Bonds6

About 2-[(4-fluorobenzoyl)amino]-N-[(E)-2-(3-nitrophenyl)ethenyl]benzamide

2-[(4-fluorobenzoyl)amino]-N-[(E)-2-(3-nitrophenyl)ethenyl]benzamide (PubChem CID 6250072) has the molecular formula C22H16FN3O4 and a molecular weight of 405.39 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-N-[(E)-2-(3-nitrophenyl)ethenyl]benzamide.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-N-[(E)-2-(3-nitrophenyl)ethenyl]benzamide
PubChem CID6250072
Molecular FormulaC22H16FN3O4
Molecular Weight405.39 g/mol
Exact Mass405.11
IUPAC Name2-[(4-fluorobenzoyl)amino]-N-[(E)-2-(3-nitrophenyl)ethenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O4/c23-17-10-8-16(9-11-17)21(27)25-20-7-2-1-6-19(20)22(28)24-13-12-15-4-3-5-18(14-15)26(29)30/h1-14H,(H,24,28)(H,25,27)/b13-12+
InChIKeyLTJGCHXGTAGBFE-OUKQBFOZSA-N
XLogP4.39
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 54.39
H-Bond Donors ≤ 52
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'}

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Related Compounds

4-nitro-N-[2-[[[(E)-3-phenylprop-2-enoyl]amino]carbamoyl]phenyl]benzamide
CID 126006391
(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2165621
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
N-(4-anilinophenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 17176013
N-[2-[(3-nitrophenyl)methylideneamino]phenyl]-4-(trifluoromethyl)benzamide
CID 1258855
2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
CID 4945339
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 94849409
2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 6088615
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-nitrophenyl)urea
CID 108906050
2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23108146

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-[(E)-2-(3-nitrophenyl)ethenyl]benzamide?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-[(E)-2-(3-nitrophenyl)ethenyl]benzamide (CID 6250072) is 2-[(4-fluorobenzoyl)amino]-N-[(E)-2-(3-nitrophenyl)ethenyl]benzamide.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-N-[(E)-2-(3-nitrophenyl)ethenyl]benzamide?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-N-[(E)-2-(3-nitrophenyl)ethenyl]benzamide is O=C(Nc1ccccc1C(=O)N/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-N-[(E)-2-(3-nitrophenyl)ethenyl]benzamide?
The InChIKey is LTJGCHXGTAGBFE-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H16FN3O4/c23-17-10-8-16(9-11-17)21(27)25-20-7-2-1-6-19(20)22(28)24-13-12-15-4-3-5-18(14-15)26(29)30/h1-14H,(H,24,28)(H,25,27)/b13-12+.
What are the key properties of 2-[(4-fluorobenzoyl)amino]-N-[(E)-2-(3-nitrophenyl)ethenyl]benzamide?
2-[(4-fluorobenzoyl)amino]-N-[(E)-2-(3-nitrophenyl)ethenyl]benzamide has a molecular weight of 405.39 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)amino]-N-[(E)-2-(3-nitrophenyl)ethenyl]benzamide is sourced from PubChem (CID 6250072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).