N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine

C17H14BrClF3NO — CID 123957835

IUPACN-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine
SMILESCCC(=NOCc1ccc(Br)cc1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C17H14BrClF3NO/c1-2-16(23-24-10-11-3-5-12(18)6-4-11)14-9-13(19)7-8-15(14)17(20,21)22/h3-9H,2,10H2,1H3
InChIKeyJVJHWJGLIQMRJU-UHFFFAOYSA-N
MW420.66 g/mol
LogP6.45
Rot. Bonds5

About N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine

N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine (PubChem CID 123957835) has the molecular formula C17H14BrClF3NO and a molecular weight of 420.66 g/mol. Its IUPAC name is N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine
PubChem CID123957835
Molecular FormulaC17H14BrClF3NO
Molecular Weight420.66 g/mol
Exact Mass418.99
IUPAC NameN-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine
SMILESCCC(=NOCc1ccc(Br)cc1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C17H14BrClF3NO/c1-2-16(23-24-10-11-3-5-12(18)6-4-11)14-9-13(19)7-8-15(14)17(20,21)22/h3-9H,2,10H2,1H3
InChIKeyJVJHWJGLIQMRJU-UHFFFAOYSA-N
XLogP6.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.66
LogP ≤ 56.45
H-Bond Donors ≤ 50
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'}

Analyze N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine 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

(E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine
CID 88957365
CID 172952844
CID 172952844
(E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
CID 88957319
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethoxy)propan-1-imine
CID 88957466
(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine
CID 88957258
CID 172986959
CID 172986959
(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine
CID 59021079
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenoxy]propan-1-imine
CID 88957426
CID 172952274
CID 172952274
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxypropan-1-imine
CID 88957435
(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
CID 88957318
CID 172959901
CID 172959901

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine?
The IUPAC name of N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine (CID 123957835) is N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine.
What is the SMILES notation for N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine?
The canonical SMILES for N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine is CCC(=NOCc1ccc(Br)cc1)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine?
The InChIKey is JVJHWJGLIQMRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClF3NO/c1-2-16(23-24-10-11-3-5-12(18)6-4-11)14-9-13(19)7-8-15(14)17(20,21)22/h3-9H,2,10H2,1H3.
What are the key properties of N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine?
N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine has a molecular weight of 420.66 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine is sourced from PubChem (CID 123957835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).