N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline

C15H7Br2F7N2O — CID 6323044

IUPACN-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
SMILESCOc1c(Br)cc(Br)cc1/C=N/Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C15H7Br2F7N2O/c1-27-14-5(2-6(16)3-7(14)17)4-25-26-13-11(20)9(18)8(15(22,23)24)10(19)12(13)21/h2-4,26H,1H3/b25-4+
InChIKeyZZZZSFQBJHLEQI-PFKHKWDZSA-N
MW524.03 g/mol
LogP6.24
Rot. Bonds4

About N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline

N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline (PubChem CID 6323044) has the molecular formula C15H7Br2F7N2O and a molecular weight of 524.03 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
PubChem CID6323044
Molecular FormulaC15H7Br2F7N2O
Molecular Weight524.03 g/mol
Exact Mass521.88
IUPAC NameN-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
SMILESCOc1c(Br)cc(Br)cc1/C=N/Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C15H7Br2F7N2O/c1-27-14-5(2-6(16)3-7(14)17)4-25-26-13-11(20)9(18)8(15(22,23)24)10(19)12(13)21/h2-4,26H,1H3/b25-4+
InChIKeyZZZZSFQBJHLEQI-PFKHKWDZSA-N
XLogP6.24
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.03
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline 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

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
4-N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 6143526
2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 9466478
N-[(3,5-dibromo-2-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 4168312
N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 6026693
N-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
CID 3110875
2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787540
3,5-dibromo-2-methoxybenzaldehyde
CID 1494335
N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
CID 134123964
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]aniline
CID 110504857
2-N-[(3,5-dibromo-2-methoxyphenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 73449375
N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505804

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline (CID 6323044) is N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline is COc1c(Br)cc(Br)cc1/C=N/Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
The InChIKey is ZZZZSFQBJHLEQI-PFKHKWDZSA-N. The full InChI is InChI=1S/C15H7Br2F7N2O/c1-27-14-5(2-6(16)3-7(14)17)4-25-26-13-11(20)9(18)8(15(22,23)24)10(19)12(13)21/h2-4,26H,1H3/b25-4+.
What are the key properties of N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline has a molecular weight of 524.03 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 6323044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).