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

C18H19FN2O4 — CID 26003921

IUPAC2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
SMILESCCOc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O4/c1-3-24-16-7-5-4-6-15(16)18(23)21-20-17(22)12(2)25-14-10-8-13(19)9-11-14/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyPDCJBZQCAJJEQM-LBPRGKRZSA-N
MW346.36 g/mol
LogP2.45
Rot. Bonds6

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

2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide (PubChem CID 26003921) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
PubChem CID26003921
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
SMILESCCOc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O4/c1-3-24-16-7-5-4-6-15(16)18(23)21-20-17(22)12(2)25-14-10-8-13(19)9-11-14/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyPDCJBZQCAJJEQM-LBPRGKRZSA-N
XLogP2.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.45
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

N'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide
CID 4953512
2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9091705
2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
CID 4952061
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
CID 51161387
N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide
CID 17046558
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide
CID 41259338
5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 17353100
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide
CID 17169415
5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9088683
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide
CID 43008457

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide (CID 26003921) is 2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide is CCOc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1.
What is the InChIKey of 2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The InChIKey is PDCJBZQCAJJEQM-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-3-24-16-7-5-4-6-15(16)18(23)21-20-17(22)12(2)25-14-10-8-13(19)9-11-14/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1.
What are the key properties of 2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide?
2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide has a molecular weight of 346.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 26003921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).