4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide

C15H14FN3O4 — CID 9088554

IUPAC4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
SMILESCC(=O)c1c[nH]c(C(=O)NNC(=O)COc2ccc(F)cc2)c1
InChIInChI=1S/C15H14FN3O4/c1-9(20)10-6-13(17-7-10)15(22)19-18-14(21)8-23-12-4-2-11(16)3-5-12/h2-7,17H,8H2,1H3,(H,18,21)(H,19,22)
InChIKeyNWGGOGJIVBOTIY-UHFFFAOYSA-N
MW319.29 g/mol
LogP1.20
Rot. Bonds5

About 4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide

4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 9088554) has the molecular formula C15H14FN3O4 and a molecular weight of 319.29 g/mol. Its IUPAC name is 4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
PubChem CID9088554
Molecular FormulaC15H14FN3O4
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC Name4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
SMILESCC(=O)c1c[nH]c(C(=O)NNC(=O)COc2ccc(F)cc2)c1
InChIInChI=1S/C15H14FN3O4/c1-9(20)10-6-13(17-7-10)15(22)19-18-14(21)8-23-12-4-2-11(16)3-5-12/h2-7,17H,8H2,1H3,(H,18,21)(H,19,22)
InChIKeyNWGGOGJIVBOTIY-UHFFFAOYSA-N
XLogP1.20
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N'-[2-(2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9087574
4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 7946133
N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
CID 8880066
N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide
CID 27836051
3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide
CID 7910735
4-bromo-N'-[2-(4-cyanophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9256144
N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide
CID 7946052
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 24616440
5,6-dichloro-N'-[2-(4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide
CID 24634545
4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9088365
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385643

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide (CID 9088554) is 4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide is CC(=O)c1c[nH]c(C(=O)NNC(=O)COc2ccc(F)cc2)c1.
What is the InChIKey of 4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is NWGGOGJIVBOTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O4/c1-9(20)10-6-13(17-7-10)15(22)19-18-14(21)8-23-12-4-2-11(16)3-5-12/h2-7,17H,8H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 319.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 9088554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).