N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide

C18H19FN2O4 — CID 24502964

IUPACN'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)C(C)Oc2ccccc2F)ccc1C
InChIInChI=1S/C18H19FN2O4/c1-11-8-9-13(10-16(11)24-3)18(23)21-20-17(22)12(2)25-15-7-5-4-6-14(15)19/h4-10,12H,1-3H3,(H,20,22)(H,21,23)
InChIKeyMXXHJDWKIXDRKQ-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.37
Rot. Bonds5

About N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide

N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide (PubChem CID 24502964) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
PubChem CID24502964
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)C(C)Oc2ccccc2F)ccc1C
InChIInChI=1S/C18H19FN2O4/c1-11-8-9-13(10-16(11)24-3)18(23)21-20-17(22)12(2)25-15-7-5-4-6-14(15)19/h4-10,12H,1-3H3,(H,20,22)(H,21,23)
InChIKeyMXXHJDWKIXDRKQ-UHFFFAOYSA-N
XLogP2.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.37
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

2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 55413100
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide
CID 7927420
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]naphthalene-2-carbohydrazide
CID 7760964
N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41410915
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640633
N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640641
3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7927406
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 4932300
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 9088677
N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide
CID 43003714
4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7760973

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide (CID 24502964) is N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide is COc1cc(C(=O)NNC(=O)C(C)Oc2ccccc2F)ccc1C.
What is the InChIKey of N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide?
The InChIKey is MXXHJDWKIXDRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-11-8-9-13(10-16(11)24-3)18(23)21-20-17(22)12(2)25-15-7-5-4-6-14(15)19/h4-10,12H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide?
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide has a molecular weight of 346.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide is sourced from PubChem (CID 24502964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).