(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide

C17H16ClFN2O4 — CID 40611223

IUPAC(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClFN2O4/c1-11(25-15-8-4-13(19)5-9-15)17(23)21-20-16(22)10-24-14-6-2-12(18)3-7-14/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeySJNATEFINMVBIH-NSHDSACASA-N
MW366.78 g/mol
LogP2.47
Rot. Bonds6

About (2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide

(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide (PubChem CID 40611223) has the molecular formula C17H16ClFN2O4 and a molecular weight of 366.78 g/mol. Its IUPAC name is (2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
PubChem CID40611223
Molecular FormulaC17H16ClFN2O4
Molecular Weight366.78 g/mol
Exact Mass366.08
IUPAC Name(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClFN2O4/c1-11(25-15-8-4-13(19)5-9-15)17(23)21-20-16(22)10-24-14-6-2-12(18)3-7-14/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeySJNATEFINMVBIH-NSHDSACASA-N
XLogP2.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 7964947
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7927413
2-(2-chlorophenoxy)-N'-[2-(4-chlorophenoxy)acetyl]propanehydrazide
CID 4932195
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
(2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
CID 9368212
N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43005498
2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4944112
2-(4-fluorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 24638267
(2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9428468
(2R)-N'-[2-(3-ethylphenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368194
(2R)-2-(4-ethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9238118

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
The IUPAC name of (2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide (CID 40611223) is (2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide.
What is the SMILES notation for (2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
The canonical SMILES for (2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide is C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of (2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
The InChIKey is SJNATEFINMVBIH-NSHDSACASA-N. The full InChI is InChI=1S/C17H16ClFN2O4/c1-11(25-15-8-4-13(19)5-9-15)17(23)21-20-16(22)10-24-14-6-2-12(18)3-7-14/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)/t11-/m0/s1.
What are the key properties of (2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide has a molecular weight of 366.78 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 40611223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).