2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1,2-diphenylethanone

C21H17ClN2O — CID 3415921

IUPAC2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1,2-diphenylethanone
SMILESCc1ccc(NN=C(C(=O)c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C21H17ClN2O/c1-15-12-13-18(14-19(15)22)23-24-20(16-8-4-2-5-9-16)21(25)17-10-6-3-7-11-17/h2-14,23H,1H3
InChIKeyKNTHWSKREXJXKU-UHFFFAOYSA-N
MW348.83 g/mol
LogP5.35
Rot. Bonds5

About 2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1,2-diphenylethanone

2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1,2-diphenylethanone (PubChem CID 3415921) has the molecular formula C21H17ClN2O and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1,2-diphenylethanone
PubChem CID3415921
Molecular FormulaC21H17ClN2O
Molecular Weight348.83 g/mol
Exact Mass348.10
IUPAC Name2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1,2-diphenylethanone
SMILESCc1ccc(NN=C(C(=O)c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C21H17ClN2O/c1-15-12-13-18(14-19(15)22)23-24-20(16-8-4-2-5-9-16)21(25)17-10-6-3-7-11-17/h2-14,23H,1H3
InChIKeyKNTHWSKREXJXKU-UHFFFAOYSA-N
XLogP5.35
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.83
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(3-chlorophenyl)hydrazinylidene]-1,2-diphenylethanone
CID 6172850
3-chloro-4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]aniline
CID 7612604
ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate
CID 87540078
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide
CID 24638933
3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline
CID 7612601
3-[[3-[(Z)-N-(3-chloro-4-methylanilino)-C-methylcarbonimidoyl]phenyl]sulfonylamino]propanoic acid
CID 9069189
3-chloro-4-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]aniline
CID 9069302
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
CID 7900446
N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
CID 54816136

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of 2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1,2-diphenylethanone (CID 3415921) is 2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for 2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for 2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1,2-diphenylethanone is Cc1ccc(NN=C(C(=O)c2ccccc2)c2ccccc2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1,2-diphenylethanone?
The InChIKey is KNTHWSKREXJXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O/c1-15-12-13-18(14-19(15)22)23-24-20(16-8-4-2-5-9-16)21(25)17-10-6-3-7-11-17/h2-14,23H,1H3.
What are the key properties of 2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1,2-diphenylethanone?
2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1,2-diphenylethanone has a molecular weight of 348.83 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 3415921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).