N-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline

C23H15BrF6N2 — CID 2801837

IUPACN-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(/N=C/C=C(Nc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H15BrF6N2/c24-18-7-1-15(2-8-18)21(32-20-11-5-17(6-12-20)23(28,29)30)13-14-31-19-9-3-16(4-10-19)22(25,26)27/h1-14,32H/b21-13?,31-14+
InChIKeySYNMRWNNTMNUCR-SDEBCNEGSA-N
MW513.28 g/mol
LogP8.34
Rot. Bonds5

About N-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline

N-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline (PubChem CID 2801837) has the molecular formula C23H15BrF6N2 and a molecular weight of 513.28 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
PubChem CID2801837
Molecular FormulaC23H15BrF6N2
Molecular Weight513.28 g/mol
Exact Mass512.03
IUPAC NameN-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(/N=C/C=C(Nc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H15BrF6N2/c24-18-7-1-15(2-8-18)21(32-20-11-5-17(6-12-20)23(28,29)30)13-14-31-19-9-3-16(4-10-19)22(25,26)27/h1-14,32H/b21-13?,31-14+
InChIKeySYNMRWNNTMNUCR-SDEBCNEGSA-N
XLogP8.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.28
LogP ≤ 58.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(Z)-1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline
CID 44888728
4-bromo-N-[1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline
CID 3760544
N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
CID 3579255
4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline
CID 6265594
N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline
CID 6174604
4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 7768186
(Z)-1-(4-bromophenyl)-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one
CID 18530697
3-(4-methylphenyl)sulfanyl-N,3-bis[4-(trifluoromethyl)phenyl]prop-2-en-1-imine
CID 173118018
2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7492486
N-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide
CID 126180534
(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 61100365
N-(4-bromophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
CID 2766802

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline (CID 2801837) is N-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(/N=C/C=C(Nc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline?
The InChIKey is SYNMRWNNTMNUCR-SDEBCNEGSA-N. The full InChI is InChI=1S/C23H15BrF6N2/c24-18-7-1-15(2-8-18)21(32-20-11-5-17(6-12-20)23(28,29)30)13-14-31-19-9-3-16(4-10-19)22(25,26)27/h1-14,32H/b21-13?,31-14+.
What are the key properties of N-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline?
N-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline has a molecular weight of 513.28 g/mol, XLogP of 8.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 2801837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).