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

C16H21FN2O3 — CID 111536336

IUPAC2-(4-fluorophenyl)-N'-[2-(1-hydroxycyclohexyl)acetyl]acetohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)CC1(O)CCCCC1
InChIInChI=1S/C16H21FN2O3/c17-13-6-4-12(5-7-13)10-14(20)18-19-15(21)11-16(22)8-2-1-3-9-16/h4-7,22H,1-3,8-11H2,(H,18,20)(H,19,21)
InChIKeyBZCOHUSPUCJBPA-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.60
Rot. Bonds4

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

2-(4-fluorophenyl)-N'-[2-(1-hydroxycyclohexyl)acetyl]acetohydrazide (PubChem CID 111536336) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N'-[2-(1-hydroxycyclohexyl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N'-[2-(1-hydroxycyclohexyl)acetyl]acetohydrazide
PubChem CID111536336
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name2-(4-fluorophenyl)-N'-[2-(1-hydroxycyclohexyl)acetyl]acetohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)CC1(O)CCCCC1
InChIInChI=1S/C16H21FN2O3/c17-13-6-4-12(5-7-13)10-14(20)18-19-15(21)11-16(22)8-2-1-3-9-16/h4-7,22H,1-3,8-11H2,(H,18,20)(H,19,21)
InChIKeyBZCOHUSPUCJBPA-UHFFFAOYSA-N
XLogP1.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 64867195
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111464495
N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 65122861
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 8622110
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide
CID 115455987
N-(1-carbamothioylcycloheptyl)-2-(4-fluorophenyl)acetamide
CID 61119962
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362285
N-(3-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430420
4-bromo-N'-[2-(1-hydroxycyclopentyl)acetyl]benzohydrazide
CID 111536284
N-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide
CID 111332009
2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide
CID 55738531

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N'-[2-(1-hydroxycyclohexyl)acetyl]acetohydrazide?
The IUPAC name of 2-(4-fluorophenyl)-N'-[2-(1-hydroxycyclohexyl)acetyl]acetohydrazide (CID 111536336) is 2-(4-fluorophenyl)-N'-[2-(1-hydroxycyclohexyl)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-fluorophenyl)-N'-[2-(1-hydroxycyclohexyl)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-fluorophenyl)-N'-[2-(1-hydroxycyclohexyl)acetyl]acetohydrazide is O=C(Cc1ccc(F)cc1)NNC(=O)CC1(O)CCCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-N'-[2-(1-hydroxycyclohexyl)acetyl]acetohydrazide?
The InChIKey is BZCOHUSPUCJBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c17-13-6-4-12(5-7-13)10-14(20)18-19-15(21)11-16(22)8-2-1-3-9-16/h4-7,22H,1-3,8-11H2,(H,18,20)(H,19,21).
What are the key properties of 2-(4-fluorophenyl)-N'-[2-(1-hydroxycyclohexyl)acetyl]acetohydrazide?
2-(4-fluorophenyl)-N'-[2-(1-hydroxycyclohexyl)acetyl]acetohydrazide has a molecular weight of 308.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N'-[2-(1-hydroxycyclohexyl)acetyl]acetohydrazide is sourced from PubChem (CID 111536336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).