2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide

C18H18FN3O5S — CID 55376670

IUPAC2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)C(C)Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18FN3O5S/c1-11(27-15-7-3-13(19)4-8-15)17(23)20-21-18(24)12(2)28-16-9-5-14(6-10-16)22(25)26/h3-12H,1-2H3,(H,20,23)(H,21,24)
InChIKeyXMKYVXTXBSGGGY-UHFFFAOYSA-N
MW407.42 g/mol
LogP2.83
Rot. Bonds7

About 2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide

2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide (PubChem CID 55376670) has the molecular formula C18H18FN3O5S and a molecular weight of 407.42 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide
PubChem CID55376670
Molecular FormulaC18H18FN3O5S
Molecular Weight407.42 g/mol
Exact Mass407.10
IUPAC Name2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)C(C)Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18FN3O5S/c1-11(27-15-7-3-13(19)4-8-15)17(23)20-21-18(24)12(2)28-16-9-5-14(6-10-16)22(25)26/h3-12H,1-2H3,(H,20,23)(H,21,24)
InChIKeyXMKYVXTXBSGGGY-UHFFFAOYSA-N
XLogP2.83
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide
CID 9091707
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide
CID 9160118
(2S)-2-(4-fluorophenoxy)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 9309027
(2R)-2-(4-fluorophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2629172
N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 4951406
N'-[(2R)-2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 8864494
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 8571036
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
N-(2-acetamidoethyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 46653051
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)sulfanylpropanamide
CID 46637984
N-ethyl-2-(4-nitrophenoxy)propanamide
CID 4951333

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide?
The IUPAC name of 2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide (CID 55376670) is 2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide?
The canonical SMILES for 2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)C(C)Sc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide?
The InChIKey is XMKYVXTXBSGGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O5S/c1-11(27-15-7-3-13(19)4-8-15)17(23)20-21-18(24)12(2)28-16-9-5-14(6-10-16)22(25)26/h3-12H,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide?
2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide has a molecular weight of 407.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide is sourced from PubChem (CID 55376670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).