2-benzyl-N-[chloro-(3-methylphenyl)methylidene]benzenecarbohydrazonoyl chloride

C22H18Cl2N2 — CID 75055212

IUPAC2-benzyl-N-[chloro-(3-methylphenyl)methylidene]benzenecarbohydrazonoyl chloride
SMILESCc1cccc(C(Cl)=NN=C(Cl)c2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C22H18Cl2N2/c1-16-8-7-12-19(14-16)21(23)25-26-22(24)20-13-6-5-11-18(20)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3
InChIKeyPXZUTMJGVMYBHT-UHFFFAOYSA-N
MW381.31 g/mol
LogP6.17
Rot. Bonds5

About 2-benzyl-N-[chloro-(3-methylphenyl)methylidene]benzenecarbohydrazonoyl chloride

2-benzyl-N-[chloro-(3-methylphenyl)methylidene]benzenecarbohydrazonoyl chloride (PubChem CID 75055212) has the molecular formula C22H18Cl2N2 and a molecular weight of 381.31 g/mol. Its IUPAC name is 2-benzyl-N-[chloro-(3-methylphenyl)methylidene]benzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name2-benzyl-N-[chloro-(3-methylphenyl)methylidene]benzenecarbohydrazonoyl chloride
PubChem CID75055212
Molecular FormulaC22H18Cl2N2
Molecular Weight381.31 g/mol
Exact Mass380.08
IUPAC Name2-benzyl-N-[chloro-(3-methylphenyl)methylidene]benzenecarbohydrazonoyl chloride
SMILESCc1cccc(C(Cl)=NN=C(Cl)c2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C22H18Cl2N2/c1-16-8-7-12-19(14-16)21(23)25-26-22(24)20-13-6-5-11-18(20)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3
InChIKeyPXZUTMJGVMYBHT-UHFFFAOYSA-N
XLogP6.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.31
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-N'-(3-methylbenzoyl)benzohydrazide
CID 44594095
2-benzylbenzenecarbothioyl chloride
CID 21317460
1-benzyl-2-prop-1-en-2-ylbenzene
CID 12535340
2-(3-methylbenzoyl)benzoic acid
CID 2801746
3-(2-benzylphenyl)-6-(3-methylphenyl)-1,2,4,5-tetrazine
CID 44594093
1,3-dibenzyl-2-chloro-5-methylbenzene
CID 159286619
2-benzyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 7900260
2-benzylbenzoic acid;1-iodo-2,3,4,5-tetramethylbenzene
CID 123134202
chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane
CID 88962487
(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495
5-(2-benzylphenyl)-1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)benzene-1,3-diamine
CID 139606546
CID 22845526
CID 22845526

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[chloro-(3-methylphenyl)methylidene]benzenecarbohydrazonoyl chloride?
The IUPAC name of 2-benzyl-N-[chloro-(3-methylphenyl)methylidene]benzenecarbohydrazonoyl chloride (CID 75055212) is 2-benzyl-N-[chloro-(3-methylphenyl)methylidene]benzenecarbohydrazonoyl chloride.
What is the SMILES notation for 2-benzyl-N-[chloro-(3-methylphenyl)methylidene]benzenecarbohydrazonoyl chloride?
The canonical SMILES for 2-benzyl-N-[chloro-(3-methylphenyl)methylidene]benzenecarbohydrazonoyl chloride is Cc1cccc(C(Cl)=NN=C(Cl)c2ccccc2Cc2ccccc2)c1.
What is the InChIKey of 2-benzyl-N-[chloro-(3-methylphenyl)methylidene]benzenecarbohydrazonoyl chloride?
The InChIKey is PXZUTMJGVMYBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2/c1-16-8-7-12-19(14-16)21(23)25-26-22(24)20-13-6-5-11-18(20)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3.
What are the key properties of 2-benzyl-N-[chloro-(3-methylphenyl)methylidene]benzenecarbohydrazonoyl chloride?
2-benzyl-N-[chloro-(3-methylphenyl)methylidene]benzenecarbohydrazonoyl chloride has a molecular weight of 381.31 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[chloro-(3-methylphenyl)methylidene]benzenecarbohydrazonoyl chloride is sourced from PubChem (CID 75055212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).