N-(2-chlorophenyl)-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide

C17H23ClN4O3 — CID 2213691

IUPACN-(2-chlorophenyl)-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)NC1CCCCC1
InChIInChI=1S/C17H23ClN4O3/c18-13-8-4-5-9-14(13)20-15(23)10-11-16(24)21-22-17(25)19-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,20,23)(H,21,24)(H2,19,22,25)
InChIKeyTZJKTIGDWFWQIO-UHFFFAOYSA-N
MW366.85 g/mol
LogP2.72
Rot. Bonds5

About N-(2-chlorophenyl)-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide

N-(2-chlorophenyl)-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide (PubChem CID 2213691) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide
PubChem CID2213691
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC NameN-(2-chlorophenyl)-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)NC1CCCCC1
InChIInChI=1S/C17H23ClN4O3/c18-13-8-4-5-9-14(13)20-15(23)10-11-16(24)21-22-17(25)19-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,20,23)(H,21,24)(H2,19,22,25)
InChIKeyTZJKTIGDWFWQIO-UHFFFAOYSA-N
XLogP2.72
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(2-chlorophenyl)-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide (CID 2213691) is N-(2-chlorophenyl)-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide is O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)NC1CCCCC1.
What is the InChIKey of N-(2-chlorophenyl)-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide?
The InChIKey is TZJKTIGDWFWQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O3/c18-13-8-4-5-9-14(13)20-15(23)10-11-16(24)21-22-17(25)19-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,20,23)(H,21,24)(H2,19,22,25).
What are the key properties of N-(2-chlorophenyl)-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide?
N-(2-chlorophenyl)-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide has a molecular weight of 366.85 g/mol, XLogP of 2.72, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 2213691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).