2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide

C22H16Cl2FN3O2 — CID 6085732

IUPAC2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cc(Cl)ccc1Cl)c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C22H16Cl2FN3O2/c1-13(27-28-22(30)18-12-15(23)8-11-19(18)24)14-6-9-16(10-7-14)26-21(29)17-4-2-3-5-20(17)25/h2-12H,1H3,(H,26,29)(H,28,30)/b27-13-
InChIKeyLFXXHMOPWSGPNW-WKIKZPBSSA-N
MW444.29 g/mol
LogP5.54
Rot. Bonds5

About 2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide

2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide (PubChem CID 6085732) has the molecular formula C22H16Cl2FN3O2 and a molecular weight of 444.29 g/mol. Its IUPAC name is 2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide
PubChem CID6085732
Molecular FormulaC22H16Cl2FN3O2
Molecular Weight444.29 g/mol
Exact Mass443.06
IUPAC Name2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cc(Cl)ccc1Cl)c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C22H16Cl2FN3O2/c1-13(27-28-22(30)18-12-15(23)8-11-19(18)24)14-6-9-16(10-7-14)26-21(29)17-4-2-3-5-20(17)25/h2-12H,1H3,(H,26,29)(H,28,30)/b27-13-
InChIKeyLFXXHMOPWSGPNW-WKIKZPBSSA-N
XLogP5.54
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.29
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-fluorobenzamide
CID 6146725
N-[(E)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 5431788
2,4-dichloro-N-[4-[N-[(2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4288814
N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide
CID 1225540
N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4165688
3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6177494
N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 6108928
2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266458
2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 5078107
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 1358379
N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide
CID 3404914
2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4200169

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide?
The IUPAC name of 2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide (CID 6085732) is 2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide is C/C(=N/NC(=O)c1cc(Cl)ccc1Cl)c1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide?
The InChIKey is LFXXHMOPWSGPNW-WKIKZPBSSA-N. The full InChI is InChI=1S/C22H16Cl2FN3O2/c1-13(27-28-22(30)18-12-15(23)8-11-19(18)24)14-6-9-16(10-7-14)26-21(29)17-4-2-3-5-20(17)25/h2-12H,1H3,(H,26,29)(H,28,30)/b27-13-.
What are the key properties of 2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide?
2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide has a molecular weight of 444.29 g/mol, XLogP of 5.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 6085732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).