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

C27H23FN2O6 — CID 43003010

IUPACN'-[2-(2-fluorophenoxy)propanoyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide
SMILESCc1cc(=O)oc2cc(OCc3ccc(C(=O)NNC(=O)C(C)Oc4ccccc4F)cc3)ccc12
InChIInChI=1S/C27H23FN2O6/c1-16-13-25(31)36-24-14-20(11-12-21(16)24)34-15-18-7-9-19(10-8-18)27(33)30-29-26(32)17(2)35-23-6-4-3-5-22(23)28/h3-14,17H,15H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyXSZZIUYPQXUSNL-UHFFFAOYSA-N
MW490.49 g/mol
LogP4.05
Rot. Bonds7

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

N'-[2-(2-fluorophenoxy)propanoyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide (PubChem CID 43003010) has the molecular formula C27H23FN2O6 and a molecular weight of 490.49 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)propanoyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)propanoyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide
PubChem CID43003010
Molecular FormulaC27H23FN2O6
Molecular Weight490.49 g/mol
Exact Mass490.15
IUPAC NameN'-[2-(2-fluorophenoxy)propanoyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide
SMILESCc1cc(=O)oc2cc(OCc3ccc(C(=O)NNC(=O)C(C)Oc4ccccc4F)cc3)ccc12
InChIInChI=1S/C27H23FN2O6/c1-16-13-25(31)36-24-14-20(11-12-21(16)24)34-15-18-7-9-19(10-8-18)27(33)30-29-26(32)17(2)35-23-6-4-3-5-22(23)28/h3-14,17H,15H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyXSZZIUYPQXUSNL-UHFFFAOYSA-N
XLogP4.05
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 54.05
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'}

Analyze N'-[2-(2-fluorophenoxy)propanoyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide
CID 2568378
4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide
CID 2102682
N-(3,4-diethoxyphenyl)-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 16551304
[1-(ethylamino)-1-oxopropan-2-yl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate
CID 45352154
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 17465642
N-(2,3-dimethylphenyl)-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 7946928
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one
CID 14798404
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]naphthalene-2-carbohydrazide
CID 7760964
7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7967871
4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 46642922

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)propanoyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)propanoyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide (CID 43003010) is N'-[2-(2-fluorophenoxy)propanoyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)propanoyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)propanoyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide is Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NNC(=O)C(C)Oc4ccccc4F)cc3)ccc12.
What is the InChIKey of N'-[2-(2-fluorophenoxy)propanoyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide?
The InChIKey is XSZZIUYPQXUSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O6/c1-16-13-25(31)36-24-14-20(11-12-21(16)24)34-15-18-7-9-19(10-8-18)27(33)30-29-26(32)17(2)35-23-6-4-3-5-22(23)28/h3-14,17H,15H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N'-[2-(2-fluorophenoxy)propanoyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide?
N'-[2-(2-fluorophenoxy)propanoyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide has a molecular weight of 490.49 g/mol, XLogP of 4.05, 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)propanoyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide is sourced from PubChem (CID 43003010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).