2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-N-cyclohexyl-2-oxoacetamide

C16H20ClN3O3 — CID 2084155

IUPAC2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-N-cyclohexyl-2-oxoacetamide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)C(=O)NC1CCCCC1
InChIInChI=1S/C16H20ClN3O3/c17-12-8-6-11(7-9-12)10-14(21)19-20-16(23)15(22)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,18,22)(H,19,21)(H,20,23)
InChIKeyTURXHNCLAGFXEU-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.48
Rot. Bonds3

About 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-N-cyclohexyl-2-oxoacetamide

2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-N-cyclohexyl-2-oxoacetamide (PubChem CID 2084155) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-N-cyclohexyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-N-cyclohexyl-2-oxoacetamide
PubChem CID2084155
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-N-cyclohexyl-2-oxoacetamide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)C(=O)NC1CCCCC1
InChIInChI=1S/C16H20ClN3O3/c17-12-8-6-11(7-9-12)10-14(21)19-20-16(23)15(22)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,18,22)(H,19,21)(H,20,23)
InChIKeyTURXHNCLAGFXEU-UHFFFAOYSA-N
XLogP1.48
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N'-isopropylethanediamide
CID 2290457
(2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]propanamide
CID 54584254
(2R)-N-(azepan-4-yl)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]propanamide
CID 56663268
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(4-hydroxybutan-2-yl)propanamide
CID 56670128
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 56680282
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[4-(dimethylamino)cyclohexyl]propanamide
CID 56680283
2-(4-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 2232369
N~1~-[2-(1-Azepanyl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 2233784
4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide
CID 2986095
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 4884539
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
CID 5904279
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 6375481

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-N-cyclohexyl-2-oxoacetamide?
The IUPAC name of 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-N-cyclohexyl-2-oxoacetamide (CID 2084155) is 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-N-cyclohexyl-2-oxoacetamide.
What is the SMILES notation for 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-N-cyclohexyl-2-oxoacetamide?
The canonical SMILES for 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-N-cyclohexyl-2-oxoacetamide is O=C(Cc1ccc(Cl)cc1)NNC(=O)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-N-cyclohexyl-2-oxoacetamide?
The InChIKey is TURXHNCLAGFXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c17-12-8-6-11(7-9-12)10-14(21)19-20-16(23)15(22)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-N-cyclohexyl-2-oxoacetamide?
2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-N-cyclohexyl-2-oxoacetamide has a molecular weight of 337.81 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-N-cyclohexyl-2-oxoacetamide is sourced from PubChem (CID 2084155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).