4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline

C21H15Br2ClN2 — CID 6265594

IUPAC4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline
SMILESClc1ccc(/C(=C\C=N\c2ccc(Br)cc2)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H15Br2ClN2/c22-16-3-9-19(10-4-16)25-14-13-21(15-1-7-18(24)8-2-15)26-20-11-5-17(23)6-12-20/h1-14,26H/b21-13+,25-14+
InChIKeyUUINMNKSFJBDOB-BPODSWHHSA-N
MW490.63 g/mol
LogP7.72
Rot. Bonds5

About 4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline

4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline (PubChem CID 6265594) has the molecular formula C21H15Br2ClN2 and a molecular weight of 490.63 g/mol. Its IUPAC name is 4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline
PubChem CID6265594
Molecular FormulaC21H15Br2ClN2
Molecular Weight490.63 g/mol
Exact Mass487.93
IUPAC Name4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline
SMILESClc1ccc(/C(=C\C=N\c2ccc(Br)cc2)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H15Br2ClN2/c22-16-3-9-19(10-4-16)25-14-13-21(15-1-7-18(24)8-2-15)26-20-11-5-17(23)6-12-20/h1-14,26H/b21-13+,25-14+
InChIKeyUUINMNKSFJBDOB-BPODSWHHSA-N
XLogP7.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 57.72
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-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline
CID 6174604
N-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
CID 2801837
4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline
CID 3736689
N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
CID 3579255
[(E)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium chloride
CID 20786925
1-(4-bromophenyl)-3-[4-[(4-chlorophenyl)carbamothioylamino]phenyl]thiourea
CID 18982691
N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine
CID 525681
3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide
CID 4854669
1-bromo-4-chlorobenzene
CID 7806
1-[1-(4-bromophenyl)ethenylamino]-3-(4-chlorophenyl)thiourea
CID 2362566

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline?
The IUPAC name of 4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline (CID 6265594) is 4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline.
What is the SMILES notation for 4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline?
The canonical SMILES for 4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline is Clc1ccc(/C(=C\C=N\c2ccc(Br)cc2)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline?
The InChIKey is UUINMNKSFJBDOB-BPODSWHHSA-N. The full InChI is InChI=1S/C21H15Br2ClN2/c22-16-3-9-19(10-4-16)25-14-13-21(15-1-7-18(24)8-2-15)26-20-11-5-17(23)6-12-20/h1-14,26H/b21-13+,25-14+.
What are the key properties of 4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline?
4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline has a molecular weight of 490.63 g/mol, XLogP of 7.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline is sourced from PubChem (CID 6265594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).