N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide

C17H16FN3O6 — CID 7927420

IUPACN'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C17H16FN3O6/c1-10(27-14-6-4-3-5-12(14)18)16(22)19-20-17(23)11-7-8-15(26-2)13(9-11)21(24)25/h3-10H,1-2H3,(H,19,22)(H,20,23)/t10-/m0/s1
InChIKeyJQNHOOYWGVOCHF-JTQLQIEISA-N
MW377.33 g/mol
LogP1.97
Rot. Bonds6

About N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide

N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide (PubChem CID 7927420) has the molecular formula C17H16FN3O6 and a molecular weight of 377.33 g/mol. Its IUPAC name is N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide
PubChem CID7927420
Molecular FormulaC17H16FN3O6
Molecular Weight377.33 g/mol
Exact Mass377.10
IUPAC NameN'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C17H16FN3O6/c1-10(27-14-6-4-3-5-12(14)18)16(22)19-20-17(23)11-7-8-15(26-2)13(9-11)21(24)25/h3-10H,1-2H3,(H,19,22)(H,20,23)/t10-/m0/s1
InChIKeyJQNHOOYWGVOCHF-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

4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9393219
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
N'-[2-(2-fluorophenoxy)propanoyl]-2-nitrobenzohydrazide
CID 43003717
4-[(2-chlorophenyl)methylamino]-N'-[2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 55342062
N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide
CID 26771959
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzohydrazide
CID 27815245
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 55413100
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]naphthalene-2-carbohydrazide
CID 7760964
N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide
CID 43003714
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640633
N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640641

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide?
The IUPAC name of N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide (CID 7927420) is N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide?
The canonical SMILES for N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide is COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1[N+](=O)[O-].
What is the InChIKey of N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide?
The InChIKey is JQNHOOYWGVOCHF-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16FN3O6/c1-10(27-14-6-4-3-5-12(14)18)16(22)19-20-17(23)11-7-8-15(26-2)13(9-11)21(24)25/h3-10H,1-2H3,(H,19,22)(H,20,23)/t10-/m0/s1.
What are the key properties of N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide?
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-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-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide is sourced from PubChem (CID 7927420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).