N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline

C21H15ClF2N2 — CID 6174604

IUPACN-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline
SMILESFc1ccc(/N=C/C=C(/Nc2ccc(F)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H15ClF2N2/c22-16-3-1-15(2-4-16)21(26-20-11-7-18(24)8-12-20)13-14-25-19-9-5-17(23)6-10-19/h1-14,26H/b21-13+,25-14+
InChIKeyULLSWQNZMZLLLQ-BPODSWHHSA-N
MW368.81 g/mol
LogP6.47
Rot. Bonds5

About N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline

N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline (PubChem CID 6174604) has the molecular formula C21H15ClF2N2 and a molecular weight of 368.81 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline
PubChem CID6174604
Molecular FormulaC21H15ClF2N2
Molecular Weight368.81 g/mol
Exact Mass368.09
IUPAC NameN-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline
SMILESFc1ccc(/N=C/C=C(/Nc2ccc(F)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H15ClF2N2/c22-16-3-1-15(2-4-16)21(26-20-11-7-18(24)8-12-20)13-14-25-19-9-5-17(23)6-10-19/h1-14,26H/b21-13+,25-14+
InChIKeyULLSWQNZMZLLLQ-BPODSWHHSA-N
XLogP6.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.81
LogP ≤ 56.47
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-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline
CID 6265594
N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
CID 3579255
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-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
CID 2801837
4-chloro-N-(4-fluorophenyl)benzenecarbothioamide
CID 86183001
[(E)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium chloride
CID 20786925
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809567
(2R)-2-(4-benzoylphenyl)-N-[(4-chlorophenyl)iminomethyl]-2-(4-fluorophenyl)acetamide
CID 136865812
3-(4-chlorophenyl)-2-cyano-N-(4-fluorophenyl)-3-oxopropanamide
CID 7100268
[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 724983

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline (CID 6174604) is N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline is Fc1ccc(/N=C/C=C(/Nc2ccc(F)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline?
The InChIKey is ULLSWQNZMZLLLQ-BPODSWHHSA-N. The full InChI is InChI=1S/C21H15ClF2N2/c22-16-3-1-15(2-4-16)21(26-20-11-7-18(24)8-12-20)13-14-25-19-9-5-17(23)6-10-19/h1-14,26H/b21-13+,25-14+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline?
N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline has a molecular weight of 368.81 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline is sourced from PubChem (CID 6174604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).