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

C17H12F3N3O2 — CID 6887548

IUPACN-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
SMILESN#CCOc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)14-3-1-2-13(10-14)16(24)23-22-11-12-4-6-15(7-5-12)25-9-8-21/h1-7,10-11H,9H2,(H,23,24)/b22-11+
InChIKeyVLSWUEOEROGOSB-SSDVNMTOSA-N
MW347.30 g/mol
LogP3.37
Rot. Bonds5

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

N-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide (PubChem CID 6887548) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
PubChem CID6887548
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC NameN-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
SMILESN#CCOc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)14-3-1-2-13(10-14)16(24)23-22-11-12-4-6-15(7-5-12)25-9-8-21/h1-7,10-11H,9H2,(H,23,24)/b22-11+
InChIKeyVLSWUEOEROGOSB-SSDVNMTOSA-N
XLogP3.37
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)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

N-[[4-(2-methylpropoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 4520620
N-[(Z)-[4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 98080899
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 4311594
N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 21211160
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 136758849
4-(benzylsulfanylmethyl)-N-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]benzamide
CID 5345894
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080514
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 9298316
N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 3669848
N-[[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylideneamino]-3-chlorobenzamide
CID 5004235
N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 5131148
N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide
CID 5332284

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide (CID 6887548) is N-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide is N#CCOc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide?
The InChIKey is VLSWUEOEROGOSB-SSDVNMTOSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-17(19,20)14-3-1-2-13(10-14)16(24)23-22-11-12-4-6-15(7-5-12)25-9-8-21/h1-7,10-11H,9H2,(H,23,24)/b22-11+.
What are the key properties of N-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide?
N-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide has a molecular weight of 347.30 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 6887548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).