N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide

C18H19ClN2O3 — CID 4929839

IUPACN'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide
SMILESCCC(Oc1ccccc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-2-16(24-15-6-4-3-5-7-15)18(23)21-20-17(22)12-13-8-10-14(19)11-9-13/h3-11,16H,2,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyVHOPCGHPCZKRCC-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.89
Rot. Bonds6

About N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide

N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide (PubChem CID 4929839) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide
PubChem CID4929839
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide
SMILESCCC(Oc1ccccc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-2-16(24-15-6-4-3-5-7-15)18(23)21-20-17(22)12-13-8-10-14(19)11-9-13/h3-11,16H,2,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyVHOPCGHPCZKRCC-UHFFFAOYSA-N
XLogP2.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.89
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

3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide
CID 24543011
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide
CID 4929692
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7555599
2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 132651550
N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide
CID 17073544
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide
CID 17073452
N'-[2-(4-chlorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940235
N-(3,5-dichlorophenyl)-2-phenoxybutanamide
CID 4099409

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide (CID 4929839) is N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide is CCC(Oc1ccccc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide?
The InChIKey is VHOPCGHPCZKRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-2-16(24-15-6-4-3-5-7-15)18(23)21-20-17(22)12-13-8-10-14(19)11-9-13/h3-11,16H,2,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide?
N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide has a molecular weight of 346.81 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide is sourced from PubChem (CID 4929839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).