(2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide

C17H15Cl2FN2O3 — CID 7760988

IUPAC(2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H15Cl2FN2O3/c1-10(25-15-8-3-2-7-14(15)20)17(24)22-21-16(23)9-11-12(18)5-4-6-13(11)19/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24)/t10-/m0/s1
InChIKeyRTYVNZPWKQLLTP-JTQLQIEISA-N
MW385.22 g/mol
LogP3.29
Rot. Bonds5

About (2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide

(2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide (PubChem CID 7760988) has the molecular formula C17H15Cl2FN2O3 and a molecular weight of 385.22 g/mol. Its IUPAC name is (2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
PubChem CID7760988
Molecular FormulaC17H15Cl2FN2O3
Molecular Weight385.22 g/mol
Exact Mass384.04
IUPAC Name(2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H15Cl2FN2O3/c1-10(25-15-8-3-2-7-14(15)20)17(24)22-21-16(23)9-11-12(18)5-4-6-13(11)19/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24)/t10-/m0/s1
InChIKeyRTYVNZPWKQLLTP-JTQLQIEISA-N
XLogP3.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 53.29
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

N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 4820851
(2R)-N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7760909
(2S)-N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 9087471
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7910909
N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide
CID 46569105
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7927413
2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 55741094
N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 46653893
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
2-(2-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]propanehydrazide
CID 4932286

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide?
The IUPAC name of (2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide (CID 7760988) is (2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide.
What is the SMILES notation for (2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide?
The canonical SMILES for (2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide is C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of (2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide?
The InChIKey is RTYVNZPWKQLLTP-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15Cl2FN2O3/c1-10(25-15-8-3-2-7-14(15)20)17(24)22-21-16(23)9-11-12(18)5-4-6-13(11)19/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24)/t10-/m0/s1.
What are the key properties of (2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide?
(2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide has a molecular weight of 385.22 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 7760988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).