acetylene;(2E)-2-[(2-fluorophenyl)methyl-(4-phenylphenyl)hydrazinylidene]propanal

C24H21FN2O — CID 142949286

IUPACacetylene;(2E)-2-[(2-fluorophenyl)methyl-(4-phenylphenyl)hydrazinylidene]propanal
SMILESC#C.C/C(C=O)=N\N(Cc1ccccc1F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19FN2O.C2H2/c1-17(16-26)24-25(15-20-9-5-6-10-22(20)23)21-13-11-19(12-14-21)18-7-3-2-4-8-18;1-2/h2-14,16H,15H2,1H3;1-2H/b24-17+;
InChIKeyOAVFTAWZMXKREV-HRKWZSCTSA-N
MW372.44 g/mol
LogP5.32
Rot. Bonds6

About acetylene;(2E)-2-[(2-fluorophenyl)methyl-(4-phenylphenyl)hydrazinylidene]propanal

acetylene;(2E)-2-[(2-fluorophenyl)methyl-(4-phenylphenyl)hydrazinylidene]propanal (PubChem CID 142949286) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is acetylene;(2E)-2-[(2-fluorophenyl)methyl-(4-phenylphenyl)hydrazinylidene]propanal.

Molecular Properties

Compound Nameacetylene;(2E)-2-[(2-fluorophenyl)methyl-(4-phenylphenyl)hydrazinylidene]propanal
PubChem CID142949286
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC Nameacetylene;(2E)-2-[(2-fluorophenyl)methyl-(4-phenylphenyl)hydrazinylidene]propanal
SMILESC#C.C/C(C=O)=N\N(Cc1ccccc1F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19FN2O.C2H2/c1-17(16-26)24-25(15-20-9-5-6-10-22(20)23)21-13-11-19(12-14-21)18-7-3-2-4-8-18;1-2/h2-14,16H,15H2,1H3;1-2H/b24-17+;
InChIKeyOAVFTAWZMXKREV-HRKWZSCTSA-N
XLogP5.32
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
CID 61412166
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 39359993
N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 84571244
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
(2-fluorophenyl)methyl-phenylcarbamic acid
CID 68974867
3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
3-[(2-fluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 61412681
N-[(2-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide
CID 4803955
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
4-(2-fluorophenyl)-3-(methylamino)butan-2-one
CID 76637468
(3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic acid
CID 125415643

Frequently Asked Questions

What is the IUPAC name of acetylene;(2E)-2-[(2-fluorophenyl)methyl-(4-phenylphenyl)hydrazinylidene]propanal?
The IUPAC name of acetylene;(2E)-2-[(2-fluorophenyl)methyl-(4-phenylphenyl)hydrazinylidene]propanal (CID 142949286) is acetylene;(2E)-2-[(2-fluorophenyl)methyl-(4-phenylphenyl)hydrazinylidene]propanal.
What is the SMILES notation for acetylene;(2E)-2-[(2-fluorophenyl)methyl-(4-phenylphenyl)hydrazinylidene]propanal?
The canonical SMILES for acetylene;(2E)-2-[(2-fluorophenyl)methyl-(4-phenylphenyl)hydrazinylidene]propanal is C#C.C/C(C=O)=N\N(Cc1ccccc1F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of acetylene;(2E)-2-[(2-fluorophenyl)methyl-(4-phenylphenyl)hydrazinylidene]propanal?
The InChIKey is OAVFTAWZMXKREV-HRKWZSCTSA-N. The full InChI is InChI=1S/C22H19FN2O.C2H2/c1-17(16-26)24-25(15-20-9-5-6-10-22(20)23)21-13-11-19(12-14-21)18-7-3-2-4-8-18;1-2/h2-14,16H,15H2,1H3;1-2H/b24-17+;.
What are the key properties of acetylene;(2E)-2-[(2-fluorophenyl)methyl-(4-phenylphenyl)hydrazinylidene]propanal?
acetylene;(2E)-2-[(2-fluorophenyl)methyl-(4-phenylphenyl)hydrazinylidene]propanal has a molecular weight of 372.44 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(2E)-2-[(2-fluorophenyl)methyl-(4-phenylphenyl)hydrazinylidene]propanal is sourced from PubChem (CID 142949286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).