N'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide

C26H21FN2O6 — CID 2568378

IUPACN'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide
SMILESCc1cc(=O)oc2cc(OCc3ccc(C(=O)NNC(=O)COc4ccccc4F)cc3)ccc12
InChIInChI=1S/C26H21FN2O6/c1-16-12-25(31)35-23-13-19(10-11-20(16)23)33-14-17-6-8-18(9-7-17)26(32)29-28-24(30)15-34-22-5-3-2-4-21(22)27/h2-13H,14-15H2,1H3,(H,28,30)(H,29,32)
InChIKeySVDAERZXCBKZJA-UHFFFAOYSA-N
MW476.46 g/mol
LogP3.66
Rot. Bonds7

About N'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide

N'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide (PubChem CID 2568378) has the molecular formula C26H21FN2O6 and a molecular weight of 476.46 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide
PubChem CID2568378
Molecular FormulaC26H21FN2O6
Molecular Weight476.46 g/mol
Exact Mass476.14
IUPAC NameN'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide
SMILESCc1cc(=O)oc2cc(OCc3ccc(C(=O)NNC(=O)COc4ccccc4F)cc3)ccc12
InChIInChI=1S/C26H21FN2O6/c1-16-12-25(31)35-23-13-19(10-11-20(16)23)33-14-17-6-8-18(9-7-17)26(32)29-28-24(30)15-34-22-5-3-2-4-21(22)27/h2-13H,14-15H2,1H3,(H,28,30)(H,29,32)
InChIKeySVDAERZXCBKZJA-UHFFFAOYSA-N
XLogP3.66
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-fluorophenoxy)propanoyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide
CID 43003010
N-[2-(2-fluorophenoxy)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7927599
4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide
CID 2102682
N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 863920
N-(2,3-dimethylphenyl)-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 7946928
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate
CID 29170588
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 17465642
[2-oxo-2-(2-phenylethylamino)ethyl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate
CID 2095409
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
N-(3,4-diethoxyphenyl)-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 16551304
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide
CID 7943426

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide (CID 2568378) is N'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide is Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NNC(=O)COc4ccccc4F)cc3)ccc12.
What is the InChIKey of N'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide?
The InChIKey is SVDAERZXCBKZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O6/c1-16-12-25(31)35-23-13-19(10-11-20(16)23)33-14-17-6-8-18(9-7-17)26(32)29-28-24(30)15-34-22-5-3-2-4-21(22)27/h2-13H,14-15H2,1H3,(H,28,30)(H,29,32).
What are the key properties of N'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide?
N'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide has a molecular weight of 476.46 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide is sourced from PubChem (CID 2568378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).