4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide

C14H9ClF3N3O — CID 118855339

IUPAC4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(C(F)(F)F)ccn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClF3N3O/c15-11-3-1-9(2-4-11)13(22)21-20-8-12-7-10(5-6-19-12)14(16,17)18/h1-8H,(H,21,22)/b20-8+
InChIKeyKYYZTJFIAWFNSI-DNTJNYDQSA-N
MW327.69 g/mol
LogP3.52
Rot. Bonds3

About 4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide

4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide (PubChem CID 118855339) has the molecular formula C14H9ClF3N3O and a molecular weight of 327.69 g/mol. Its IUPAC name is 4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide
PubChem CID118855339
Molecular FormulaC14H9ClF3N3O
Molecular Weight327.69 g/mol
Exact Mass327.04
IUPAC Name4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(C(F)(F)F)ccn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClF3N3O/c15-11-3-1-9(2-4-11)13(22)21-20-8-12-7-10(5-6-19-12)14(16,17)18/h1-8H,(H,21,22)/b20-8+
InChIKeyKYYZTJFIAWFNSI-DNTJNYDQSA-N
XLogP3.52
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.69
LogP ≤ 53.52
H-Bond Donors ≤ 51
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

4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 5134541
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
4-[(4-chlorophenoxy)methyl]-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 9408946
methyl 4-[(E)-[[2-chloro-5-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]benzoate
CID 170440273
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499205
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
4-hydroxy-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5402772
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide
CID 137058198
4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 7768186
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 94836336

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide (CID 118855339) is 4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide is O=C(N/N=C/c1cc(C(F)(F)F)ccn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide?
The InChIKey is KYYZTJFIAWFNSI-DNTJNYDQSA-N. The full InChI is InChI=1S/C14H9ClF3N3O/c15-11-3-1-9(2-4-11)13(22)21-20-8-12-7-10(5-6-19-12)14(16,17)18/h1-8H,(H,21,22)/b20-8+.
What are the key properties of 4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide?
4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide has a molecular weight of 327.69 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide is sourced from PubChem (CID 118855339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).