1-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]pyrrole-2-carbohydrazide

C21H20FN3O3 — CID 55560640

IUPAC1-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]pyrrole-2-carbohydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccn1Cc1ccccc1
InChIInChI=1S/C21H20FN3O3/c1-15(28-18-11-9-17(22)10-12-18)20(26)23-24-21(27)19-8-5-13-25(19)14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyNGBYAFYSSHZGLP-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.90
Rot. Bonds6

About 1-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]pyrrole-2-carbohydrazide

1-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]pyrrole-2-carbohydrazide (PubChem CID 55560640) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 1-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]pyrrole-2-carbohydrazide
PubChem CID55560640
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name1-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]pyrrole-2-carbohydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccn1Cc1ccccc1
InChIInChI=1S/C21H20FN3O3/c1-15(28-18-11-9-17(22)10-12-18)20(26)23-24-21(27)19-8-5-13-25(19)14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyNGBYAFYSSHZGLP-UHFFFAOYSA-N
XLogP2.90
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.90
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-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9091705
2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 26003921
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
2-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]-4-methyl-1,3-thiazole-5-carbohydrazide
CID 46429594
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
CID 51161387
3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 4820872
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
N-[1-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 46521359
1-benzyl-N'-[2-(4-methoxyanilino)acetyl]pyrrole-2-carbohydrazide
CID 55555139
N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide
CID 55821299

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]pyrrole-2-carbohydrazide?
The IUPAC name of 1-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]pyrrole-2-carbohydrazide (CID 55560640) is 1-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]pyrrole-2-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]pyrrole-2-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]pyrrole-2-carbohydrazide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]pyrrole-2-carbohydrazide?
The InChIKey is NGBYAFYSSHZGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-15(28-18-11-9-17(22)10-12-18)20(26)23-24-21(27)19-8-5-13-25(19)14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 1-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]pyrrole-2-carbohydrazide?
1-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]pyrrole-2-carbohydrazide has a molecular weight of 381.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]pyrrole-2-carbohydrazide is sourced from PubChem (CID 55560640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).