4-(3-chlorophenoxy)-1-[4-(3-chlorophenoxy)-N-hydrazinyl-2-methylanilino]-2-methylbenzene

C26H23Cl2N3O2 — CID 118138414

IUPAC4-(3-chlorophenoxy)-1-[4-(3-chlorophenoxy)-N-hydrazinyl-2-methylanilino]-2-methylbenzene
SMILESCc1cc(Oc2cccc(Cl)c2)ccc1N(NN)c1ccc(Oc2cccc(Cl)c2)cc1C
InChIInChI=1S/C26H23Cl2N3O2/c1-17-13-23(32-21-7-3-5-19(27)15-21)9-11-25(17)31(30-29)26-12-10-24(14-18(26)2)33-22-8-4-6-20(28)16-22/h3-16,30H,29H2,1-2H3
InChIKeyROASRWIDGZUJMQ-UHFFFAOYSA-N
MW480.40 g/mol
LogP7.71
Rot. Bonds7

About 4-(3-chlorophenoxy)-1-[4-(3-chlorophenoxy)-N-hydrazinyl-2-methylanilino]-2-methylbenzene

4-(3-chlorophenoxy)-1-[4-(3-chlorophenoxy)-N-hydrazinyl-2-methylanilino]-2-methylbenzene (PubChem CID 118138414) has the molecular formula C26H23Cl2N3O2 and a molecular weight of 480.40 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-1-[4-(3-chlorophenoxy)-N-hydrazinyl-2-methylanilino]-2-methylbenzene.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-1-[4-(3-chlorophenoxy)-N-hydrazinyl-2-methylanilino]-2-methylbenzene
PubChem CID118138414
Molecular FormulaC26H23Cl2N3O2
Molecular Weight480.40 g/mol
Exact Mass479.12
IUPAC Name4-(3-chlorophenoxy)-1-[4-(3-chlorophenoxy)-N-hydrazinyl-2-methylanilino]-2-methylbenzene
SMILESCc1cc(Oc2cccc(Cl)c2)ccc1N(NN)c1ccc(Oc2cccc(Cl)c2)cc1C
InChIInChI=1S/C26H23Cl2N3O2/c1-17-13-23(32-21-7-3-5-19(27)15-21)9-11-25(17)31(30-29)26-12-10-24(14-18(26)2)33-22-8-4-6-20(28)16-22/h3-16,30H,29H2,1-2H3
InChIKeyROASRWIDGZUJMQ-UHFFFAOYSA-N
XLogP7.71
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.40
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenoxy)-1,2-dimethylbenzene
CID 70594513
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
2-[4-(3-chlorophenoxy)phenoxy]ethanamine
CID 19881384
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
2-[3-(3-chlorophenoxy)phenyl]ethanamine
CID 63943128
1-[4-(3-chlorophenoxy)phenyl]propan-2-amine
CID 63803972
3-(3-chlorophenoxy)-5-methoxyaniline
CID 80748712
[2-(3-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175170
2-(3-chlorophenoxy)-4,6-dimethylpyrimidine
CID 171984782
N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628743
methyl 2-(3-chlorophenoxy)-2-[4-(4-chlorophenoxy)phenyl]acetate
CID 12531856
N'-[5-(3-chlorophenoxy)pyrimidin-2-yl]propane-1,3-diamine
CID 117224550

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-1-[4-(3-chlorophenoxy)-N-hydrazinyl-2-methylanilino]-2-methylbenzene?
The IUPAC name of 4-(3-chlorophenoxy)-1-[4-(3-chlorophenoxy)-N-hydrazinyl-2-methylanilino]-2-methylbenzene (CID 118138414) is 4-(3-chlorophenoxy)-1-[4-(3-chlorophenoxy)-N-hydrazinyl-2-methylanilino]-2-methylbenzene.
What is the SMILES notation for 4-(3-chlorophenoxy)-1-[4-(3-chlorophenoxy)-N-hydrazinyl-2-methylanilino]-2-methylbenzene?
The canonical SMILES for 4-(3-chlorophenoxy)-1-[4-(3-chlorophenoxy)-N-hydrazinyl-2-methylanilino]-2-methylbenzene is Cc1cc(Oc2cccc(Cl)c2)ccc1N(NN)c1ccc(Oc2cccc(Cl)c2)cc1C.
What is the InChIKey of 4-(3-chlorophenoxy)-1-[4-(3-chlorophenoxy)-N-hydrazinyl-2-methylanilino]-2-methylbenzene?
The InChIKey is ROASRWIDGZUJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3O2/c1-17-13-23(32-21-7-3-5-19(27)15-21)9-11-25(17)31(30-29)26-12-10-24(14-18(26)2)33-22-8-4-6-20(28)16-22/h3-16,30H,29H2,1-2H3.
What are the key properties of 4-(3-chlorophenoxy)-1-[4-(3-chlorophenoxy)-N-hydrazinyl-2-methylanilino]-2-methylbenzene?
4-(3-chlorophenoxy)-1-[4-(3-chlorophenoxy)-N-hydrazinyl-2-methylanilino]-2-methylbenzene has a molecular weight of 480.40 g/mol, XLogP of 7.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-1-[4-(3-chlorophenoxy)-N-hydrazinyl-2-methylanilino]-2-methylbenzene is sourced from PubChem (CID 118138414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).