2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide

C17H22FN3O3 — CID 55738531

IUPAC2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)CN1CCCCCCC1=O
InChIInChI=1S/C17H22FN3O3/c18-14-8-6-13(7-9-14)11-15(22)19-20-16(23)12-21-10-4-2-1-3-5-17(21)24/h6-9H,1-5,10-12H2,(H,19,22)(H,20,23)
InChIKeyVHFPVYMRXNSYQF-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.31
Rot. Bonds4

About 2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide

2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide (PubChem CID 55738531) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide
PubChem CID55738531
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)CN1CCCCCCC1=O
InChIInChI=1S/C17H22FN3O3/c18-14-8-6-13(7-9-14)11-15(22)19-20-16(23)12-21-10-4-2-1-3-5-17(21)24/h6-9H,1-5,10-12H2,(H,19,22)(H,20,23)
InChIKeyVHFPVYMRXNSYQF-UHFFFAOYSA-N
XLogP1.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-fluorophenyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]prop-2-enehydrazide
CID 9219034
N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide
CID 9218984
5-chloro-2-fluoro-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9093083
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869967
4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 8623673
N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 4787566
N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide
CID 9218953
N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9185791
2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide
CID 47116839
2-(4-fluorophenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687249
1-[[2-(2-oxoazepan-1-yl)acetyl]amino]-3-(2-phenylethyl)thiourea
CID 8677167

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide?
The IUPAC name of 2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide (CID 55738531) is 2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide is O=C(Cc1ccc(F)cc1)NNC(=O)CN1CCCCCCC1=O.
What is the InChIKey of 2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide?
The InChIKey is VHFPVYMRXNSYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c18-14-8-6-13(7-9-14)11-15(22)19-20-16(23)12-21-10-4-2-1-3-5-17(21)24/h6-9H,1-5,10-12H2,(H,19,22)(H,20,23).
What are the key properties of 2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide?
2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide has a molecular weight of 335.38 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide is sourced from PubChem (CID 55738531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).