4-chloro-N-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide

C15H9Cl2F3N2O — CID 71950811

IUPAC4-chloro-N-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide
SMILESO=C(NN=C(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl2F3N2O/c16-11-5-1-9(2-6-11)13(15(18,19)20)21-22-14(23)10-3-7-12(17)8-4-10/h1-8H,(H,22,23)
InChIKeyGNAVEDJETOVHOS-UHFFFAOYSA-N
MW361.15 g/mol
LogP4.69
Rot. Bonds3

About 4-chloro-N-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide

4-chloro-N-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide (PubChem CID 71950811) has the molecular formula C15H9Cl2F3N2O and a molecular weight of 361.15 g/mol. Its IUPAC name is 4-chloro-N-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide
PubChem CID71950811
Molecular FormulaC15H9Cl2F3N2O
Molecular Weight361.15 g/mol
Exact Mass360.00
IUPAC Name4-chloro-N-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide
SMILESO=C(NN=C(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl2F3N2O/c16-11-5-1-9(2-6-11)13(15(18,19)20)21-22-14(23)10-3-7-12(17)8-4-10/h1-8H,(H,22,23)
InChIKeyGNAVEDJETOVHOS-UHFFFAOYSA-N
XLogP4.69
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.15
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide
CID 59956653
N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide
CID 129248931
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N-[(E)-[(3E)-3-(benzoylhydrazinylidene)butan-2-ylidene]amino]-4-chlorobenzamide
CID 11068273
(2E)-2-[(4-chlorobenzoyl)hydrazinylidene]propanoic acid;hydrate
CID 139076387
4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
CID 5398069
4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide
CID 678796
[(Z)-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino] trifluoromethanesulfonate
CID 140525159
4-chloro-N-hydroxybenzamide
CID 587178
4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 3643342
N-acetyl-4-chlorobenzamide
CID 11735747
cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide)
CID 50896973

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide?
The IUPAC name of 4-chloro-N-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide (CID 71950811) is 4-chloro-N-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide?
The canonical SMILES for 4-chloro-N-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide is O=C(NN=C(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide?
The InChIKey is GNAVEDJETOVHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N2O/c16-11-5-1-9(2-6-11)13(15(18,19)20)21-22-14(23)10-3-7-12(17)8-4-10/h1-8H,(H,22,23).
What are the key properties of 4-chloro-N-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide?
4-chloro-N-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide has a molecular weight of 361.15 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide is sourced from PubChem (CID 71950811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).