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

C18H18FN3O6 — CID 9393219

IUPAC4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C18H18FN3O6/c1-3-27-16-9-8-12(10-14(16)22(25)26)18(24)21-20-17(23)11(2)28-15-7-5-4-6-13(15)19/h4-11H,3H2,1-2H3,(H,20,23)(H,21,24)/t11-/m0/s1
InChIKeySXAITFJPLNXZHP-NSHDSACASA-N
MW391.36 g/mol
LogP2.36
Rot. Bonds7

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

4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide (PubChem CID 9393219) has the molecular formula C18H18FN3O6 and a molecular weight of 391.36 g/mol. Its IUPAC name is 4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound Name4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide
PubChem CID9393219
Molecular FormulaC18H18FN3O6
Molecular Weight391.36 g/mol
Exact Mass391.12
IUPAC Name4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C18H18FN3O6/c1-3-27-16-9-8-12(10-14(16)22(25)26)18(24)21-20-17(23)11(2)28-15-7-5-4-6-13(15)19/h4-11H,3H2,1-2H3,(H,20,23)(H,21,24)/t11-/m0/s1
InChIKeySXAITFJPLNXZHP-NSHDSACASA-N
XLogP2.36
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 52.36
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

N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide
CID 7927420
N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
4-[(2-chlorophenyl)methylamino]-N'-[2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 55342062
N'-[2-(2-fluorophenoxy)propanoyl]-2-nitrobenzohydrazide
CID 43003717
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
4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
CID 9392138
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]naphthalene-2-carbohydrazide
CID 7760964
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
CID 9393143
2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 55413100
N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide
CID 43003714

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide?
The IUPAC name of 4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide (CID 9393219) is 4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide.
What is the SMILES notation for 4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide?
The canonical SMILES for 4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide is CCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1[N+](=O)[O-].
What is the InChIKey of 4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide?
The InChIKey is SXAITFJPLNXZHP-NSHDSACASA-N. The full InChI is InChI=1S/C18H18FN3O6/c1-3-27-16-9-8-12(10-14(16)22(25)26)18(24)21-20-17(23)11(2)28-15-7-5-4-6-13(15)19/h4-11H,3H2,1-2H3,(H,20,23)(H,21,24)/t11-/m0/s1.
What are the key properties of 4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide?
4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide has a molecular weight of 391.36 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 9393219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).