N'-[2-(3-fluorophenoxy)acetyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide

C22H24FN3O7 — CID 25102432

IUPACN'-[2-(3-fluorophenoxy)acetyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)COc2cccc(F)c2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C22H24FN3O7/c1-30-19-11-15(5-6-18(19)33-14-21(28)26-7-9-31-10-8-26)22(29)25-24-20(27)13-32-17-4-2-3-16(23)12-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,24,27)(H,25,29)
InChIKeyFNHKYMGFFWPZKK-UHFFFAOYSA-N
MW461.45 g/mol
LogP0.91
Rot. Bonds8

About N'-[2-(3-fluorophenoxy)acetyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide

N'-[2-(3-fluorophenoxy)acetyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide (PubChem CID 25102432) has the molecular formula C22H24FN3O7 and a molecular weight of 461.45 g/mol. Its IUPAC name is N'-[2-(3-fluorophenoxy)acetyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-fluorophenoxy)acetyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
PubChem CID25102432
Molecular FormulaC22H24FN3O7
Molecular Weight461.45 g/mol
Exact Mass461.16
IUPAC NameN'-[2-(3-fluorophenoxy)acetyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)COc2cccc(F)c2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C22H24FN3O7/c1-30-19-11-15(5-6-18(19)33-14-21(28)26-7-9-31-10-8-26)22(29)25-24-20(27)13-32-17-4-2-3-16(23)12-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,24,27)(H,25,29)
InChIKeyFNHKYMGFFWPZKK-UHFFFAOYSA-N
XLogP0.91
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-fluorophenoxy)acetyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide?
The IUPAC name of N'-[2-(3-fluorophenoxy)acetyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide (CID 25102432) is N'-[2-(3-fluorophenoxy)acetyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(3-fluorophenoxy)acetyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(3-fluorophenoxy)acetyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide is COc1cc(C(=O)NNC(=O)COc2cccc(F)c2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of N'-[2-(3-fluorophenoxy)acetyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide?
The InChIKey is FNHKYMGFFWPZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O7/c1-30-19-11-15(5-6-18(19)33-14-21(28)26-7-9-31-10-8-26)22(29)25-24-20(27)13-32-17-4-2-3-16(23)12-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,24,27)(H,25,29).
What are the key properties of N'-[2-(3-fluorophenoxy)acetyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide?
N'-[2-(3-fluorophenoxy)acetyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide has a molecular weight of 461.45 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-fluorophenoxy)acetyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide is sourced from PubChem (CID 25102432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).