4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid

C16H13FN2O4 — CID 9241516

IUPAC4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESO=C(COc1cccc(F)c1)N/N=C\c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H13FN2O4/c17-13-2-1-3-14(8-13)23-10-15(20)19-18-9-11-4-6-12(7-5-11)16(21)22/h1-9H,10H2,(H,19,20)(H,21,22)/b18-9-
InChIKeyPSFBXFKDPOQTBT-NVMNQCDNSA-N
MW316.29 g/mol
LogP2.05
Rot. Bonds6

About 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid

4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 9241516) has the molecular formula C16H13FN2O4 and a molecular weight of 316.29 g/mol. Its IUPAC name is 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
PubChem CID9241516
Molecular FormulaC16H13FN2O4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESO=C(COc1cccc(F)c1)N/N=C\c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H13FN2O4/c17-13-2-1-3-14(8-13)23-10-15(20)19-18-9-11-4-6-12(7-5-11)16(21)22/h1-9H,10H2,(H,19,20)(H,21,22)/b18-9-
InChIKeyPSFBXFKDPOQTBT-NVMNQCDNSA-N
XLogP2.05
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9242023
4-[(E)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19208670
2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 9241892
4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6029442
4-[(E)-[[2-(4-bromo-3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190233
4-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5391553
4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid
CID 958505
4-[(E)-[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190230
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646
N-[(4-methylsulfanylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 4246520
N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9242517
2-[4-[(E)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6909519

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid (CID 9241516) is 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid is O=C(COc1cccc(F)c1)N/N=C\c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is PSFBXFKDPOQTBT-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H13FN2O4/c17-13-2-1-3-14(8-13)23-10-15(20)19-18-9-11-4-6-12(7-5-11)16(21)22/h1-9H,10H2,(H,19,20)(H,21,22)/b18-9-.
What are the key properties of 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 316.29 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 9241516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).