2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide

C20H15ClF3N3O2 — CID 178143871

IUPAC2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide
SMILESNNC(=O)Cc1cc(F)c(-c2cccc(OCc3ccc(Cl)cc3F)n2)cc1F
InChIInChI=1S/C20H15ClF3N3O2/c21-13-5-4-11(15(22)8-13)10-29-20-3-1-2-18(26-20)14-9-16(23)12(6-17(14)24)7-19(28)27-25/h1-6,8-9H,7,10,25H2,(H,27,28)
InChIKeyVIJWFJIMQNFDAK-UHFFFAOYSA-N
MW421.81 g/mol
LogP3.93
Rot. Bonds6

About 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide

2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide (PubChem CID 178143871) has the molecular formula C20H15ClF3N3O2 and a molecular weight of 421.81 g/mol. Its IUPAC name is 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide
PubChem CID178143871
Molecular FormulaC20H15ClF3N3O2
Molecular Weight421.81 g/mol
Exact Mass421.08
IUPAC Name2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide
SMILESNNC(=O)Cc1cc(F)c(-c2cccc(OCc3ccc(Cl)cc3F)n2)cc1F
InChIInChI=1S/C20H15ClF3N3O2/c21-13-5-4-11(15(22)8-13)10-29-20-3-1-2-18(26-20)14-9-16(23)12(6-17(14)24)7-19(28)27-25/h1-6,8-9H,7,10,25H2,(H,27,28)
InChIKeyVIJWFJIMQNFDAK-UHFFFAOYSA-N
XLogP3.93
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.81
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide
CID 178144049
2-(4-chloro-2-fluorophenyl)acetohydrazide
CID 162677805
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(1-ethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid;ethane
CID 156731515
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(3-oxabicyclo[3.1.1]heptan-1-yl)benzimidazole-5-carboxylic acid
CID 170322851
tert-butyl (3R)-3-[[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 169090339
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4S)-2-oxabicyclo[3.1.1]heptan-4-yl]benzimidazole-5-carboxylic acid
CID 166089270
methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate
CID 155190470
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4S)-4-(methoxymethyl)-4-methyloxolan-3-yl]benzimidazole-5-carboxylic acid
CID 166089572
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-(methoxymethyl)-4-methyloxolan-3-yl]benzimidazole-5-carboxylic acid
CID 166089484
tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate
CID 151484896
2-[[2,5-difluoro-4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-methylbenzimidazole-5-carboxylic acid
CID 156731145
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-1-[(3S)-4,4-dimethyloxolan-3-yl]imidazo[4,5-c]pyridine-6-carboxylic acid
CID 166089717

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide?
The IUPAC name of 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide (CID 178143871) is 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide?
The canonical SMILES for 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide is NNC(=O)Cc1cc(F)c(-c2cccc(OCc3ccc(Cl)cc3F)n2)cc1F.
What is the InChIKey of 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide?
The InChIKey is VIJWFJIMQNFDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O2/c21-13-5-4-11(15(22)8-13)10-29-20-3-1-2-18(26-20)14-9-16(23)12(6-17(14)24)7-19(28)27-25/h1-6,8-9H,7,10,25H2,(H,27,28).
What are the key properties of 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide?
2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide has a molecular weight of 421.81 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide is sourced from PubChem (CID 178143871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).