N'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide

C18H22FN3O3 — CID 9471920

IUPACN'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)COc2ccccc2F)c(C)n1C(C)C
InChIInChI=1S/C18H22FN3O3/c1-11(2)22-12(3)9-14(13(22)4)18(24)21-20-17(23)10-25-16-8-6-5-7-15(16)19/h5-9,11H,10H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyWGYQUJUYVVBFFN-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.66
Rot. Bonds5

About N'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide

N'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide (PubChem CID 9471920) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide
PubChem CID9471920
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC NameN'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)COc2ccccc2F)c(C)n1C(C)C
InChIInChI=1S/C18H22FN3O3/c1-11(2)22-12(3)9-14(13(22)4)18(24)21-20-17(23)10-25-16-8-6-5-7-15(16)19/h5-9,11H,10H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyWGYQUJUYVVBFFN-UHFFFAOYSA-N
XLogP2.66
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.66
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-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide
CID 9471875
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide
CID 7809022
2-(2-chloro-4-fluorophenoxy)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110656156
N'-[2-(2-fluorophenoxy)propanoyl]-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 55543848
N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide
CID 17439720
N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 7601146
N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide
CID 7815061
N'-[2-(2-fluorophenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479038
N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24502827
(2R)-N'-[2-(2-fluorophenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927377

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide (CID 9471920) is N'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)COc2ccccc2F)c(C)n1C(C)C.
What is the InChIKey of N'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide?
The InChIKey is WGYQUJUYVVBFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-11(2)22-12(3)9-14(13(22)4)18(24)21-20-17(23)10-25-16-8-6-5-7-15(16)19/h5-9,11H,10H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide?
N'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide has a molecular weight of 347.39 g/mol, XLogP of 2.66, 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)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide is sourced from PubChem (CID 9471920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).