N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide

C18H17Cl2FN2O3 — CID 46569105

IUPACN'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2FN2O3/c1-11(26-16-5-3-2-4-15(16)21)18(25)23-22-17(24)9-7-12-6-8-13(19)10-14(12)20/h2-6,8,10-11H,7,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyVWYZDHZHFRAXRQ-UHFFFAOYSA-N
MW399.25 g/mol
LogP3.68
Rot. Bonds6

About N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide

N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide (PubChem CID 46569105) has the molecular formula C18H17Cl2FN2O3 and a molecular weight of 399.25 g/mol. Its IUPAC name is N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide
PubChem CID46569105
Molecular FormulaC18H17Cl2FN2O3
Molecular Weight399.25 g/mol
Exact Mass398.06
IUPAC NameN'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2FN2O3/c1-11(26-16-5-3-2-4-15(16)21)18(25)23-22-17(24)9-7-12-6-8-13(19)10-14(12)20/h2-6,8,10-11H,7,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyVWYZDHZHFRAXRQ-UHFFFAOYSA-N
XLogP3.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 53.68
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

(2S)-N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 9087471
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
(2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7760988
(2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide
CID 7910894
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7927413
5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 9087475
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
(2R)-N-(2,4-dichlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815023
N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 5120294
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide
CID 7501082
4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide
CID 4943400

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide?
The IUPAC name of N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide (CID 46569105) is N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide.
What is the SMILES notation for N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide?
The canonical SMILES for N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide is CC(Oc1ccccc1F)C(=O)NNC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide?
The InChIKey is VWYZDHZHFRAXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O3/c1-11(26-16-5-3-2-4-15(16)21)18(25)23-22-17(24)9-7-12-6-8-13(19)10-14(12)20/h2-6,8,10-11H,7,9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide?
N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide has a molecular weight of 399.25 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 46569105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).