N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline

C14H7BrCl2F4N2 — CID 46949285

IUPACN-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline
SMILESFc1ccc(Br)cc1/C=N/Nc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H7BrCl2F4N2/c15-9-1-2-12(18)7(3-9)6-22-23-13-10(16)4-8(5-11(13)17)14(19,20)21/h1-6,23H/b22-6+
InChIKeyYUQSGCSWISKEAA-GEVRCRHISA-N
MW430.03 g/mol
LogP6.36
Rot. Bonds3

About N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline

N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline (PubChem CID 46949285) has the molecular formula C14H7BrCl2F4N2 and a molecular weight of 430.03 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline
PubChem CID46949285
Molecular FormulaC14H7BrCl2F4N2
Molecular Weight430.03 g/mol
Exact Mass427.91
IUPAC NameN-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline
SMILESFc1ccc(Br)cc1/C=N/Nc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H7BrCl2F4N2/c15-9-1-2-12(18)7(3-9)6-22-23-13-10(16)4-8(5-11(13)17)14(19,20)21/h1-6,23H/b22-6+
InChIKeyYUQSGCSWISKEAA-GEVRCRHISA-N
XLogP6.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.03
LogP ≤ 56.36
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'}

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Related Compounds

2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 136914398
4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136705021
4-bromo-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135576325
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline
CID 9060487
2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline
CID 2781657
2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135717168
N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126082411
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-nitroaniline
CID 9059022
methyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate
CID 3569932
tert-butyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate
CID 4564535
2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 4688997
1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
CID 172930436

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline (CID 46949285) is N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline is Fc1ccc(Br)cc1/C=N/Nc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline?
The InChIKey is YUQSGCSWISKEAA-GEVRCRHISA-N. The full InChI is InChI=1S/C14H7BrCl2F4N2/c15-9-1-2-12(18)7(3-9)6-22-23-13-10(16)4-8(5-11(13)17)14(19,20)21/h1-6,23H/b22-6+.
What are the key properties of N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline?
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline has a molecular weight of 430.03 g/mol, XLogP of 6.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 46949285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).