N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C20H13BrCl2F3N3O — CID 126082411

IUPACN-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C20H13BrCl2F3N3O/c21-15-3-5-18(30-11-12-1-4-16(22)8-17(12)23)13(7-15)9-28-29-19-6-2-14(10-27-19)20(24,25)26/h1-10H,11H2,(H,27,29)/b28-9-
InChIKeyWZZQYXUKAKAOEM-BMWVXGTQSA-N
MW519.15 g/mol
LogP7.19
Rot. Bonds6

About N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 126082411) has the molecular formula C20H13BrCl2F3N3O and a molecular weight of 519.15 g/mol. Its IUPAC name is N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID126082411
Molecular FormulaC20H13BrCl2F3N3O
Molecular Weight519.15 g/mol
Exact Mass516.96
IUPAC NameN-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C20H13BrCl2F3N3O/c21-15-3-5-18(30-11-12-1-4-16(22)8-17(12)23)13(7-15)9-28-29-19-6-2-14(10-27-19)20(24,25)26/h1-10H,11H2,(H,27,29)/b28-9-
InChIKeyWZZQYXUKAKAOEM-BMWVXGTQSA-N
XLogP7.19
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.15
LogP ≤ 57.19
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'}

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Related Compounds

N-[(Z)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126107706
N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126109789
N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126070396
(NE)-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898107
[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168533091
2-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6288694
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126221091
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126124508
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126120446
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 136732774
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126217471
N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6162877

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 126082411) is N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WZZQYXUKAKAOEM-BMWVXGTQSA-N. The full InChI is InChI=1S/C20H13BrCl2F3N3O/c21-15-3-5-18(30-11-12-1-4-16(22)8-17(12)23)13(7-15)9-28-29-19-6-2-14(10-27-19)20(24,25)26/h1-10H,11H2,(H,27,29)/b28-9-.
What are the key properties of N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 519.15 g/mol, XLogP of 7.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 126082411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).