4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide

C10H8ClF3N2O — CID 59956653

IUPAC4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C10H8ClF3N2O/c1-6(10(12,13)14)15-16-9(17)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,16,17)/b15-6-
InChIKeyDRCYGEIZBFKGFF-UUASQNMZSA-N
MW264.63 g/mol
LogP3.01
Rot. Bonds2

About 4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide

4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide (PubChem CID 59956653) has the molecular formula C10H8ClF3N2O and a molecular weight of 264.63 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide
PubChem CID59956653
Molecular FormulaC10H8ClF3N2O
Molecular Weight264.63 g/mol
Exact Mass264.03
IUPAC Name4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C10H8ClF3N2O/c1-6(10(12,13)14)15-16-9(17)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,16,17)/b15-6-
InChIKeyDRCYGEIZBFKGFF-UUASQNMZSA-N
XLogP3.01
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.63
LogP ≤ 53.01
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-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide
CID 71950811
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide)
CID 50896973
N-[(E)-[(3E)-3-(benzoylhydrazinylidene)butan-2-ylidene]amino]-4-chlorobenzamide
CID 11068273
(2E)-2-[(4-chlorobenzoyl)hydrazinylidene]propanoic acid;hydrate
CID 139076387
3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide
CID 3442645
4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
CID 5398069
N-[(E)-(1-bromo-1,1-difluoropropan-2-ylidene)amino]benzamide
CID 167523986
4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethylideneamino]benzamide
CID 678796
N-acetyl-4-chlorobenzamide
CID 11735747
4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 3643342
2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide
CID 6088613

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide (CID 59956653) is 4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide is C/C(=N/NC(=O)c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide?
The InChIKey is DRCYGEIZBFKGFF-UUASQNMZSA-N. The full InChI is InChI=1S/C10H8ClF3N2O/c1-6(10(12,13)14)15-16-9(17)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,16,17)/b15-6-.
What are the key properties of 4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide?
4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide has a molecular weight of 264.63 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide is sourced from PubChem (CID 59956653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).