2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide

C16H17ClN2O2 — CID 115465245

IUPAC2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide
SMILESCc1ccc(OCc2ccccc2CC(=O)NN)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-11-6-7-15(14(17)8-11)21-10-13-5-3-2-4-12(13)9-16(20)19-18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeySLMWGRRADAXGCB-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.76
Rot. Bonds5

About 2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide

2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide (PubChem CID 115465245) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide
PubChem CID115465245
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide
SMILESCc1ccc(OCc2ccccc2CC(=O)NN)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-11-6-7-15(14(17)8-11)21-10-13-5-3-2-4-12(13)9-16(20)19-18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeySLMWGRRADAXGCB-UHFFFAOYSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide
CID 115465253
4-(2-chloro-4-methylphenoxy)butanehydrazide
CID 54793096
2-[(2-chloro-4-methylphenoxy)methyl]benzenecarbothioamide
CID 55104289
2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide
CID 115465259
methyl 2-[2-[(2-bromo-4-methylphenoxy)methyl]phenyl]acetate
CID 115460643
2-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 63576319
2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide
CID 115465209
2-[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 105351476
N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 106861648
3-[(2-chloro-4-methylphenoxy)methyl]benzoic acid
CID 62669913
2-[(2-chlorophenyl)methoxy]-5-methylaniline
CID 39350494
2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
CID 106870271

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide (CID 115465245) is 2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide is Cc1ccc(OCc2ccccc2CC(=O)NN)c(Cl)c1.
What is the InChIKey of 2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide?
The InChIKey is SLMWGRRADAXGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11-6-7-15(14(17)8-11)21-10-13-5-3-2-4-12(13)9-16(20)19-18/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide?
2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide has a molecular weight of 304.78 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).