4-(3-chloro-4-methoxyphenyl)butanehydrazide

C11H15ClN2O2 — CID 116843564

IUPAC4-(3-chloro-4-methoxyphenyl)butanehydrazide
SMILESCOc1ccc(CCCC(=O)NN)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-16-10-6-5-8(7-9(10)12)3-2-4-11(15)14-13/h5-7H,2-4,13H2,1H3,(H,14,15)
InChIKeyALNBTOMDVKHUBA-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.66
Rot. Bonds5

About 4-(3-chloro-4-methoxyphenyl)butanehydrazide

4-(3-chloro-4-methoxyphenyl)butanehydrazide (PubChem CID 116843564) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)butanehydrazide.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)butanehydrazide
PubChem CID116843564
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-(3-chloro-4-methoxyphenyl)butanehydrazide
SMILESCOc1ccc(CCCC(=O)NN)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-16-10-6-5-8(7-9(10)12)3-2-4-11(15)14-13/h5-7H,2-4,13H2,1H3,(H,14,15)
InChIKeyALNBTOMDVKHUBA-UHFFFAOYSA-N
XLogP1.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.66
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

4-(3-chloro-4-methoxyphenyl)butanethioamide
CID 83928516
4-(3-chloro-4-methoxyphenyl)butanal
CID 96658047
4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119337512
2-chloro-4-(3-chloropropyl)-1-methoxybenzene
CID 83800842
4-(4-chloro-3-methoxyphenyl)butanoic acid
CID 83710715
N-methoxy-4-(4-methoxy-3-methylphenyl)butanamide
CID 11470409
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-hydroxypropanoate
CID 103957889
3-amino-1-[(3-chloro-4-methoxyphenyl)methyl]-1-methylurea
CID 115192735
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide
CID 116846469
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
3-[4-[3-(3-chloro-4-methoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252525

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)butanehydrazide?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)butanehydrazide (CID 116843564) is 4-(3-chloro-4-methoxyphenyl)butanehydrazide.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)butanehydrazide?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)butanehydrazide is COc1ccc(CCCC(=O)NN)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)butanehydrazide?
The InChIKey is ALNBTOMDVKHUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-16-10-6-5-8(7-9(10)12)3-2-4-11(15)14-13/h5-7H,2-4,13H2,1H3,(H,14,15).
What are the key properties of 4-(3-chloro-4-methoxyphenyl)butanehydrazide?
4-(3-chloro-4-methoxyphenyl)butanehydrazide has a molecular weight of 242.71 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)butanehydrazide is sourced from PubChem (CID 116843564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).