2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide

C17H12Cl2F3N3O2 — CID 3699366

IUPAC2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C17H12Cl2F3N3O2/c1-9(24-25-15(26)13-6-5-11(18)8-14(13)19)10-3-2-4-12(7-10)23-16(27)17(20,21)22/h2-8H,1H3,(H,23,27)(H,25,26)
InChIKeyWJZIFKMRFPNCKY-UHFFFAOYSA-N
MW418.20 g/mol
LogP4.65
Rot. Bonds4

About 2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide

2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide (PubChem CID 3699366) has the molecular formula C17H12Cl2F3N3O2 and a molecular weight of 418.20 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
PubChem CID3699366
Molecular FormulaC17H12Cl2F3N3O2
Molecular Weight418.20 g/mol
Exact Mass417.03
IUPAC Name2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C17H12Cl2F3N3O2/c1-9(24-25-15(26)13-6-5-11(18)8-14(13)19)10-3-2-4-12(7-10)23-16(27)17(20,21)22/h2-8H,1H3,(H,23,27)(H,25,26)
InChIKeyWJZIFKMRFPNCKY-UHFFFAOYSA-N
XLogP4.65
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.20
LogP ≤ 54.65
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-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266105
3,4-dichloro-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 5430448
N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide
CID 6117391
4-chloro-N-[(E)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxybenzamide
CID 17337873
2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6261065
2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 17126801
2,4-dichloro-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 6167444
2-(2,4-dichlorophenoxy)-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide
CID 6265635
2,4-dichloro-N-[3-[C-methyl-N-[(3-nitrobenzoyl)amino]carbonimidoyl]phenyl]benzamide
CID 3591047
2-(4-chlorophenyl)-8-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]quinoline-4-carboxamide
CID 17337998
2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266458

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide (CID 3699366) is 2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide is CC(=NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of 2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide?
The InChIKey is WJZIFKMRFPNCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3N3O2/c1-9(24-25-15(26)13-6-5-11(18)8-14(13)19)10-3-2-4-12(7-10)23-16(27)17(20,21)22/h2-8H,1H3,(H,23,27)(H,25,26).
What are the key properties of 2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide?
2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide has a molecular weight of 418.20 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 3699366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).