2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide

C22H16Cl2FN3O2 — CID 6266105

IUPAC2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N/NC(=O)c1cccc(F)c1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C22H16Cl2FN3O2/c1-13(27-28-21(29)15-5-2-6-17(25)10-15)14-4-3-7-18(11-14)26-22(30)19-9-8-16(23)12-20(19)24/h2-12H,1H3,(H,26,30)(H,28,29)/b27-13-
InChIKeyALKPJRCFRPBSGP-WKIKZPBSSA-N
MW444.29 g/mol
LogP5.54
Rot. Bonds5

About 2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide

2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide (PubChem CID 6266105) has the molecular formula C22H16Cl2FN3O2 and a molecular weight of 444.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
PubChem CID6266105
Molecular FormulaC22H16Cl2FN3O2
Molecular Weight444.29 g/mol
Exact Mass443.06
IUPAC Name2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N/NC(=O)c1cccc(F)c1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C22H16Cl2FN3O2/c1-13(27-28-21(29)15-5-2-6-17(25)10-15)14-4-3-7-18(11-14)26-22(30)19-9-8-16(23)12-20(19)24/h2-12H,1H3,(H,26,30)(H,28,29)/b27-13-
InChIKeyALKPJRCFRPBSGP-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

2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 5078107
2,4-dichloro-N-[3-[C-methyl-N-[(3-nitrobenzoyl)amino]carbonimidoyl]phenyl]benzamide
CID 3591047
2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266458
2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 3699366
N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide
CID 6117391
N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]-3-methyl-4-nitrobenzamide
CID 6307189
N-[1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]-3-methyl-4-nitrobenzamide
CID 5227167
N-[3-[N-[[2-(4-chlorophenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-3-fluorobenzamide
CID 4087399
3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6010239
2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6261065
3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6177494
3,4-dichloro-N-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 3531180

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide (CID 6266105) is 2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide is C/C(=N/NC(=O)c1cccc(F)c1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?
The InChIKey is ALKPJRCFRPBSGP-WKIKZPBSSA-N. The full InChI is InChI=1S/C22H16Cl2FN3O2/c1-13(27-28-21(29)15-5-2-6-17(25)10-15)14-4-3-7-18(11-14)26-22(30)19-9-8-16(23)12-20(19)24/h2-12H,1H3,(H,26,30)(H,28,29)/b27-13-.
What are the key properties of 2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?
2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]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 2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 6266105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).