N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide

C16H15FN2O4 — CID 8880066

IUPACN'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)COc2ccc(F)cc2)c1
InChIInChI=1S/C16H15FN2O4/c1-22-14-4-2-3-11(9-14)16(21)19-18-15(20)10-23-13-7-5-12(17)6-8-13/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyILMUOBRAQYBELA-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.67
Rot. Bonds5

About N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide

N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide (PubChem CID 8880066) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
PubChem CID8880066
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC NameN'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)COc2ccc(F)cc2)c1
InChIInChI=1S/C16H15FN2O4/c1-22-14-4-2-3-11(9-14)16(21)19-18-15(20)10-23-13-7-5-12(17)6-8-13/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyILMUOBRAQYBELA-UHFFFAOYSA-N
XLogP1.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.67
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

3-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7720061
N'-[2-(4-methoxyphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134452
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide
CID 3117674
3-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17139694
3-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 8880057
N'-(2-cyanoacetyl)-3-methoxybenzohydrazide
CID 3117668
3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide
CID 7910735
N'-[2-(3-methoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 17386186
3-(difluoromethoxy)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7719984
N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide
CID 9340581
2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55343241
3-methoxy-N'-pentanoylbenzohydrazide
CID 3117671

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide?
The IUPAC name of N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide (CID 8880066) is N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide is COc1cccc(C(=O)NNC(=O)COc2ccc(F)cc2)c1.
What is the InChIKey of N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide?
The InChIKey is ILMUOBRAQYBELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-22-14-4-2-3-11(9-14)16(21)19-18-15(20)10-23-13-7-5-12(17)6-8-13/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide?
N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide has a molecular weight of 318.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide is sourced from PubChem (CID 8880066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).