4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide

C15H10BrF3N2O — CID 7768186

IUPAC4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H10BrF3N2O/c16-13-7-3-11(4-8-13)14(22)21-20-9-10-1-5-12(6-2-10)15(17,18)19/h1-9H,(H,21,22)/b20-9-
InChIKeyOMKGGPKFGAKSHG-UKWGHVSLSA-N
MW371.16 g/mol
LogP4.23
Rot. Bonds3

About 4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide

4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide (PubChem CID 7768186) has the molecular formula C15H10BrF3N2O and a molecular weight of 371.16 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
PubChem CID7768186
Molecular FormulaC15H10BrF3N2O
Molecular Weight371.16 g/mol
Exact Mass369.99
IUPAC Name4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H10BrF3N2O/c16-13-7-3-11(4-8-13)14(22)21-20-9-10-1-5-12(6-2-10)15(17,18)19/h1-9H,(H,21,22)/b20-9-
InChIKeyOMKGGPKFGAKSHG-UKWGHVSLSA-N
XLogP4.23
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.16
LogP ≤ 54.23
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'}

Analyze 4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide
CID 725933
N-[(E)-(4-bromophenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide iodide
CID 5334007
N-[(E)-(4-bromophenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide;hydroiodide
CID 126957688
N-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide
CID 126180534
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 679105
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
CID 3603946
4-bromo-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
CID 40822435

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide (CID 7768186) is 4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide is O=C(N/N=C\c1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The InChIKey is OMKGGPKFGAKSHG-UKWGHVSLSA-N. The full InChI is InChI=1S/C15H10BrF3N2O/c16-13-7-3-11(4-8-13)14(22)21-20-9-10-1-5-12(6-2-10)15(17,18)19/h1-9H,(H,21,22)/b20-9-.
What are the key properties of 4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide?
4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide has a molecular weight of 371.16 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 7768186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).