1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide

C16H16F2N4O4 — CID 138619993

IUPAC1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide
SMILESCOc1ccc(F)c(NNC(=O)C(=O)NNc2cc(OC)ccc2F)c1
InChIInChI=1S/C16H16F2N4O4/c1-25-9-3-5-11(17)13(7-9)19-21-15(23)16(24)22-20-14-8-10(26-2)4-6-12(14)18/h3-8,19-20H,1-2H3,(H,21,23)(H,22,24)
InChIKeyLWUOJGZGSWPZTM-UHFFFAOYSA-N
MW366.32 g/mol
LogP1.57
Rot. Bonds6

About 1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide

1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide (PubChem CID 138619993) has the molecular formula C16H16F2N4O4 and a molecular weight of 366.32 g/mol. Its IUPAC name is 1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide.

Molecular Properties

Compound Name1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide
PubChem CID138619993
Molecular FormulaC16H16F2N4O4
Molecular Weight366.32 g/mol
Exact Mass366.11
IUPAC Name1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide
SMILESCOc1ccc(F)c(NNC(=O)C(=O)NNc2cc(OC)ccc2F)c1
InChIInChI=1S/C16H16F2N4O4/c1-25-9-3-5-11(17)13(7-9)19-21-15(23)16(24)22-20-14-8-10(26-2)4-6-12(14)18/h3-8,19-20H,1-2H3,(H,21,23)(H,22,24)
InChIKeyLWUOJGZGSWPZTM-UHFFFAOYSA-N
XLogP1.57
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-fluoro-5-methoxyphenyl)hydrazine
CID 34175304
2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline
CID 164657275
chloromethyl N-(2-fluoro-5-methoxyphenyl)carbamate
CID 164660390
N-(2-fluoro-5-methoxyphenyl)-4-hydroxy-2-methylbenzamide
CID 103865750
4-(2-fluoro-5-methoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498802
3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
CID 113416369
N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide
CID 115687770
(2-(18F)fluoro-5-methoxyphenyl)methyl acetate
CID 156599512
2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid
CID 80572716
2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide
CID 116678455
3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid
CID 115935321
tert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate
CID 103257490

Frequently Asked Questions

What is the IUPAC name of 1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide?
The IUPAC name of 1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide (CID 138619993) is 1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide.
What is the SMILES notation for 1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide?
The canonical SMILES for 1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide is COc1ccc(F)c(NNC(=O)C(=O)NNc2cc(OC)ccc2F)c1.
What is the InChIKey of 1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide?
The InChIKey is LWUOJGZGSWPZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O4/c1-25-9-3-5-11(17)13(7-9)19-21-15(23)16(24)22-20-14-8-10(26-2)4-6-12(14)18/h3-8,19-20H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide?
1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide has a molecular weight of 366.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide is sourced from PubChem (CID 138619993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).