3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one

C21H16ClNO — CID 71346027

IUPAC3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one
SMILESO=C(C/C(=N\c1ccc(Cl)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16ClNO/c22-18-11-13-19(14-12-18)23-20(16-7-3-1-4-8-16)15-21(24)17-9-5-2-6-10-17/h1-14H,15H2/b23-20+
InChIKeyFJFNTNJIWLJNNZ-BSYVCWPDSA-N
MW333.82 g/mol
LogP5.73
Rot. Bonds5

About 3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one

3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one (PubChem CID 71346027) has the molecular formula C21H16ClNO and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one
PubChem CID71346027
Molecular FormulaC21H16ClNO
Molecular Weight333.82 g/mol
Exact Mass333.09
IUPAC Name3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one
SMILESO=C(C/C(=N\c1ccc(Cl)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16ClNO/c22-18-11-13-19(14-12-18)23-20(16-7-3-1-4-8-16)15-21(24)17-9-5-2-6-10-17/h1-14H,15H2/b23-20+
InChIKeyFJFNTNJIWLJNNZ-BSYVCWPDSA-N
XLogP5.73
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-fluoro-1-phenylethanimine
CID 174634496
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
chlorobenzene;2-chloro-1-phenylethanone
CID 21408930
4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine
CID 126613651
N-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide
CID 4255555
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
chromium(2+);tris(3-oxo-3-phenylpropanoate)
CID 20833080
silver 3-oxo-3-phenylpropanoate
CID 86633512
1-(4-chlorophenyl)-2,5-diphenylpentane-1,3,5-trione
CID 11839356
2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene
CID 174473009
3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one
CID 15639390

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one?
The IUPAC name of 3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one (CID 71346027) is 3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one is O=C(C/C(=N\c1ccc(Cl)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one?
The InChIKey is FJFNTNJIWLJNNZ-BSYVCWPDSA-N. The full InChI is InChI=1S/C21H16ClNO/c22-18-11-13-19(14-12-18)23-20(16-7-3-1-4-8-16)15-21(24)17-9-5-2-6-10-17/h1-14H,15H2/b23-20+.
What are the key properties of 3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one?
3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one has a molecular weight of 333.82 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one is sourced from PubChem (CID 71346027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).