4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide

C18H19ClN2O3 — CID 4928678

IUPAC4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
SMILESCCC(Oc1cccc(C)c1)C(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-3-16(24-15-6-4-5-12(2)11-15)18(23)21-20-17(22)13-7-9-14(19)10-8-13/h4-11,16H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyLXBYAWVWUBZBFR-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.27
Rot. Bonds5

About 4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide

4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide (PubChem CID 4928678) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
PubChem CID4928678
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
SMILESCCC(Oc1cccc(C)c1)C(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-3-16(24-15-6-4-5-12(2)11-15)18(23)21-20-17(22)13-7-9-14(19)10-8-13/h4-11,16H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyLXBYAWVWUBZBFR-UHFFFAOYSA-N
XLogP3.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4928674
N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide
CID 4928818
4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4930869
N-[4-[[2-(3-methylphenoxy)butanoylamino]carbamoyl]phenyl]butanamide
CID 4928728
3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073449
N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928572
3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide
CID 40614005
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928544
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073450
(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide (CID 4928678) is 4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide is CCC(Oc1cccc(C)c1)C(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide?
The InChIKey is LXBYAWVWUBZBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-16(24-15-6-4-5-12(2)11-15)18(23)21-20-17(22)13-7-9-14(19)10-8-13/h4-11,16H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide?
4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide has a molecular weight of 346.81 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide is sourced from PubChem (CID 4928678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).