2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide

C16H13ClF2N2O3S — CID 9428838

IUPAC2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
SMILESO=C(COc1ccc(F)cc1Cl)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C16H13ClF2N2O3S/c17-11-7-10(18)5-6-13(11)24-8-15(22)20-21-16(23)9-25-14-4-2-1-3-12(14)19/h1-7H,8-9H2,(H,20,22)(H,21,23)
InChIKeyGBCNROGZDQJAFA-UHFFFAOYSA-N
MW386.81 g/mol
LogP2.94
Rot. Bonds6

About 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide

2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide (PubChem CID 9428838) has the molecular formula C16H13ClF2N2O3S and a molecular weight of 386.81 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
PubChem CID9428838
Molecular FormulaC16H13ClF2N2O3S
Molecular Weight386.81 g/mol
Exact Mass386.03
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
SMILESO=C(COc1ccc(F)cc1Cl)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C16H13ClF2N2O3S/c17-11-7-10(18)5-6-13(11)24-8-15(22)20-21-16(23)9-25-14-4-2-1-3-12(14)19/h1-7H,8-9H2,(H,20,22)(H,21,23)
InChIKeyGBCNROGZDQJAFA-UHFFFAOYSA-N
XLogP2.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 52.94
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

N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide
CID 24641286
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 9427931
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide
CID 9320723
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
CID 24641294
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27698260
2-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 134095807
2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
CID 9428415
2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 7969743
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
2-(2-chloro-4-fluorophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30273064
5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide (CID 9428838) is 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide is O=C(COc1ccc(F)cc1Cl)NNC(=O)CSc1ccccc1F.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
The InChIKey is GBCNROGZDQJAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O3S/c17-11-7-10(18)5-6-13(11)24-8-15(22)20-21-16(23)9-25-14-4-2-1-3-12(14)19/h1-7H,8-9H2,(H,20,22)(H,21,23).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide has a molecular weight of 386.81 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide is sourced from PubChem (CID 9428838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).