4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide

C15H10ClF3N2O — CID 5134541

IUPAC4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClF3N2O/c16-13-6-4-11(5-7-13)14(22)21-20-9-10-2-1-3-12(8-10)15(17,18)19/h1-9H,(H,21,22)
InChIKeyUJNDUELZOAKCQK-UHFFFAOYSA-N
MW326.71 g/mol
LogP4.12
Rot. Bonds3

About 4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide

4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide (PubChem CID 5134541) has the molecular formula C15H10ClF3N2O and a molecular weight of 326.71 g/mol. Its IUPAC name is 4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
PubChem CID5134541
Molecular FormulaC15H10ClF3N2O
Molecular Weight326.71 g/mol
Exact Mass326.04
IUPAC Name4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClF3N2O/c16-13-6-4-11(5-7-13)14(22)21-20-9-10-2-1-3-12(8-10)15(17,18)19/h1-9H,(H,21,22)
InChIKeyUJNDUELZOAKCQK-UHFFFAOYSA-N
XLogP4.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 54.12
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-(3-methylbutanoylamino)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4924445
N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5341237
4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide
CID 118855339
2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4924395
1-[(Z)-[3-[fluoro(diiodo)methyl]phenyl]methylideneamino]-3-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]urea
CID 148980870
N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 21211160
2-(2,4-dichlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924400
[3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 6104777
4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
CID 5427466
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 136758849
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499205
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080514

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide (CID 5134541) is 4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide is O=C(NN=Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The InChIKey is UJNDUELZOAKCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O/c16-13-6-4-11(5-7-13)14(22)21-20-9-10-2-1-3-12(8-10)15(17,18)19/h1-9H,(H,21,22).
What are the key properties of 4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide?
4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide has a molecular weight of 326.71 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 5134541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).