N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide

C22H16ClF3N2O2 — CID 4311594

IUPACN-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
SMILESO=C(NN=Cc1ccc(OCc2ccccc2Cl)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H16ClF3N2O2/c23-20-7-2-1-4-17(20)14-30-19-10-8-15(9-11-19)13-27-28-21(29)16-5-3-6-18(12-16)22(24,25)26/h1-13H,14H2,(H,28,29)
InChIKeyGBWMFICKKWZLPP-UHFFFAOYSA-N
MW432.83 g/mol
LogP5.70
Rot. Bonds6

About N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide

N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide (PubChem CID 4311594) has the molecular formula C22H16ClF3N2O2 and a molecular weight of 432.83 g/mol. Its IUPAC name is N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
PubChem CID4311594
Molecular FormulaC22H16ClF3N2O2
Molecular Weight432.83 g/mol
Exact Mass432.09
IUPAC NameN-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
SMILESO=C(NN=Cc1ccc(OCc2ccccc2Cl)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H16ClF3N2O2/c23-20-7-2-1-4-17(20)14-30-19-10-8-15(9-11-19)13-27-28-21(29)16-5-3-6-18(12-16)22(24,25)26/h1-13H,14H2,(H,28,29)
InChIKeyGBWMFICKKWZLPP-UHFFFAOYSA-N
XLogP5.70
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.83
LogP ≤ 55.70
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'}

Analyze N-[[4-[(2-chlorophenyl)methoxy]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-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 3669848
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide
CID 94847954
3-bromo-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 41168201
N-[(Z)-[4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 98080899
N-[[4-(2-methylpropoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 4520620
N-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 6887548
4-bromo-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 91972519
3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847989
N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 21211160
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126397265
tert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate
CID 6883331
3-acetamido-N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3569074

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide (CID 4311594) is N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide is O=C(NN=Cc1ccc(OCc2ccccc2Cl)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide?
The InChIKey is GBWMFICKKWZLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N2O2/c23-20-7-2-1-4-17(20)14-30-19-10-8-15(9-11-19)13-27-28-21(29)16-5-3-6-18(12-16)22(24,25)26/h1-13H,14H2,(H,28,29).
What are the key properties of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide?
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide has a molecular weight of 432.83 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 4311594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).