N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide

C22H14Cl3F3N2O2 — CID 3669848

IUPACN-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
SMILESO=C(NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H14Cl3F3N2O2/c23-17-7-2-1-4-15(17)12-32-20-18(24)8-13(9-19(20)25)11-29-30-21(31)14-5-3-6-16(10-14)22(26,27)28/h1-11H,12H2,(H,30,31)
InChIKeyNTUIQTYQRZRBGU-UHFFFAOYSA-N
MW501.72 g/mol
LogP7.01
Rot. Bonds6

About N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide

N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide (PubChem CID 3669848) has the molecular formula C22H14Cl3F3N2O2 and a molecular weight of 501.72 g/mol. Its IUPAC name is N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
PubChem CID3669848
Molecular FormulaC22H14Cl3F3N2O2
Molecular Weight501.72 g/mol
Exact Mass500.01
IUPAC NameN-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
SMILESO=C(NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H14Cl3F3N2O2/c23-17-7-2-1-4-15(17)12-32-20-18(24)8-13(9-19(20)25)11-29-30-21(31)14-5-3-6-16(10-14)22(26,27)28/h1-11H,12H2,(H,30,31)
InChIKeyNTUIQTYQRZRBGU-UHFFFAOYSA-N
XLogP7.01
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.72
LogP ≤ 57.01
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

N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 4311594
N-[(Z)-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 94851346
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499205
2-bromo-N-[(E)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245248
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-[(E)-[3-bromo-5-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126257975
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide
CID 21380130
N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 5131148
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 94851526
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080514
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 136758849

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide (CID 3669848) is N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide is O=C(NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide?
The InChIKey is NTUIQTYQRZRBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl3F3N2O2/c23-17-7-2-1-4-15(17)12-32-20-18(24)8-13(9-19(20)25)11-29-30-21(31)14-5-3-6-16(10-14)22(26,27)28/h1-11H,12H2,(H,30,31).
What are the key properties of N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide?
N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide has a molecular weight of 501.72 g/mol, XLogP of 7.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3669848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).