N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide

C17H16FN3O6 — CID 9160118

IUPACN'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O6/c1-10(27-13-6-3-11(18)4-7-13)16(22)19-20-17(23)14-9-12(21(24)25)5-8-15(14)26-2/h3-10H,1-2H3,(H,19,22)(H,20,23)/t10-/m0/s1
InChIKeyOOYNVPLAHQHAHC-JTQLQIEISA-N
MW377.33 g/mol
LogP1.97
Rot. Bonds6

About N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide

N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide (PubChem CID 9160118) has the molecular formula C17H16FN3O6 and a molecular weight of 377.33 g/mol. Its IUPAC name is N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide
PubChem CID9160118
Molecular FormulaC17H16FN3O6
Molecular Weight377.33 g/mol
Exact Mass377.10
IUPAC NameN'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O6/c1-10(27-13-6-3-11(18)4-7-13)16(22)19-20-17(23)14-9-12(21(24)25)5-8-15(14)26-2/h3-10H,1-2H3,(H,19,22)(H,20,23)/t10-/m0/s1
InChIKeyOOYNVPLAHQHAHC-JTQLQIEISA-N
XLogP1.97
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 51.97
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
3-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 9367206
2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide
CID 55376670
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
1-(2-methoxy-5-methylphenyl)-3-[2-(4-nitrophenoxy)propanoylamino]urea
CID 2954956
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 9277093
2-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-nitrobenzohydrazide
CID 8960583
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9210501
N'-[(2R)-2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 8864494
2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9160446
N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 4951406

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide?
The IUPAC name of N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide (CID 9160118) is N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide?
The canonical SMILES for N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide is COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1.
What is the InChIKey of N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide?
The InChIKey is OOYNVPLAHQHAHC-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16FN3O6/c1-10(27-13-6-3-11(18)4-7-13)16(22)19-20-17(23)14-9-12(21(24)25)5-8-15(14)26-2/h3-10H,1-2H3,(H,19,22)(H,20,23)/t10-/m0/s1.
What are the key properties of N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide?
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide has a molecular weight of 377.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide is sourced from PubChem (CID 9160118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).