3-bromo-N-[(3-bromophenyl)-chloromethylidene]-4-methylbenzenecarbohydrazonoyl chloride

C15H10Br2Cl2N2 — CID 123309904

IUPAC3-bromo-N-[(3-bromophenyl)-chloromethylidene]-4-methylbenzenecarbohydrazonoyl chloride
SMILESCc1ccc(C(Cl)=NN=C(Cl)c2cccc(Br)c2)cc1Br
InChIInChI=1S/C15H10Br2Cl2N2/c1-9-5-6-11(8-13(9)17)15(19)21-20-14(18)10-3-2-4-12(16)7-10/h2-8H,1H3
InChIKeyXFTTTZBMODQSOB-UHFFFAOYSA-N
MW448.97 g/mol
LogP6.11
Rot. Bonds3

About 3-bromo-N-[(3-bromophenyl)-chloromethylidene]-4-methylbenzenecarbohydrazonoyl chloride

3-bromo-N-[(3-bromophenyl)-chloromethylidene]-4-methylbenzenecarbohydrazonoyl chloride (PubChem CID 123309904) has the molecular formula C15H10Br2Cl2N2 and a molecular weight of 448.97 g/mol. Its IUPAC name is 3-bromo-N-[(3-bromophenyl)-chloromethylidene]-4-methylbenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name3-bromo-N-[(3-bromophenyl)-chloromethylidene]-4-methylbenzenecarbohydrazonoyl chloride
PubChem CID123309904
Molecular FormulaC15H10Br2Cl2N2
Molecular Weight448.97 g/mol
Exact Mass445.86
IUPAC Name3-bromo-N-[(3-bromophenyl)-chloromethylidene]-4-methylbenzenecarbohydrazonoyl chloride
SMILESCc1ccc(C(Cl)=NN=C(Cl)c2cccc(Br)c2)cc1Br
InChIInChI=1S/C15H10Br2Cl2N2/c1-9-5-6-11(8-13(9)17)15(19)21-20-14(18)10-3-2-4-12(16)7-10/h2-8H,1H3
InChIKeyXFTTTZBMODQSOB-UHFFFAOYSA-N
XLogP6.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.97
LogP ≤ 56.11
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

(1Z)-3-bromo-N-hydroxy-4-methylbenzenecarboximidoyl chloride
CID 106892138
1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene
CID 15456668
(3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 81467352
3-(3-bromophenyl)-3-chloro-2-methylprop-2-enenitrile
CID 76922539
3-bromo-4-methylbenzenecarbothioic S-acid
CID 22745157
3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 4936095
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone
CID 112694096
(E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine
CID 43835164
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
9-[bis(3-bromophenyl)methylidene]fluorene
CID 11518766
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
3-bromobenzoic acid;ethane
CID 143530590

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-bromophenyl)-chloromethylidene]-4-methylbenzenecarbohydrazonoyl chloride?
The IUPAC name of 3-bromo-N-[(3-bromophenyl)-chloromethylidene]-4-methylbenzenecarbohydrazonoyl chloride (CID 123309904) is 3-bromo-N-[(3-bromophenyl)-chloromethylidene]-4-methylbenzenecarbohydrazonoyl chloride.
What is the SMILES notation for 3-bromo-N-[(3-bromophenyl)-chloromethylidene]-4-methylbenzenecarbohydrazonoyl chloride?
The canonical SMILES for 3-bromo-N-[(3-bromophenyl)-chloromethylidene]-4-methylbenzenecarbohydrazonoyl chloride is Cc1ccc(C(Cl)=NN=C(Cl)c2cccc(Br)c2)cc1Br.
What is the InChIKey of 3-bromo-N-[(3-bromophenyl)-chloromethylidene]-4-methylbenzenecarbohydrazonoyl chloride?
The InChIKey is XFTTTZBMODQSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2Cl2N2/c1-9-5-6-11(8-13(9)17)15(19)21-20-14(18)10-3-2-4-12(16)7-10/h2-8H,1H3.
What are the key properties of 3-bromo-N-[(3-bromophenyl)-chloromethylidene]-4-methylbenzenecarbohydrazonoyl chloride?
3-bromo-N-[(3-bromophenyl)-chloromethylidene]-4-methylbenzenecarbohydrazonoyl chloride has a molecular weight of 448.97 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-bromophenyl)-chloromethylidene]-4-methylbenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 123309904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).