1-cyclohexyl-3-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]urea

C19H28Cl2N4O2 — CID 142632462

IUPAC1-cyclohexyl-3-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]urea
SMILESCC(C)CC(NC(=O)NC1CCCCC1)C(=O)NNc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H28Cl2N4O2/c1-12(2)10-17(23-19(27)22-14-6-4-3-5-7-14)18(26)25-24-16-9-8-13(20)11-15(16)21/h8-9,11-12,14,17,24H,3-7,10H2,1-2H3,(H,25,26)(H2,22,23,27)
InChIKeyLOGXENGBMZWLOR-UHFFFAOYSA-N
MW415.37 g/mol
LogP4.48
Rot. Bonds7

About 1-cyclohexyl-3-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]urea

1-cyclohexyl-3-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]urea (PubChem CID 142632462) has the molecular formula C19H28Cl2N4O2 and a molecular weight of 415.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]urea
PubChem CID142632462
Molecular FormulaC19H28Cl2N4O2
Molecular Weight415.37 g/mol
Exact Mass414.16
IUPAC Name1-cyclohexyl-3-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]urea
SMILESCC(C)CC(NC(=O)NC1CCCCC1)C(=O)NNc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H28Cl2N4O2/c1-12(2)10-17(23-19(27)22-14-6-4-3-5-7-14)18(26)25-24-16-9-8-13(20)11-15(16)21/h8-9,11-12,14,17,24H,3-7,10H2,1-2H3,(H,25,26)(H2,22,23,27)
InChIKeyLOGXENGBMZWLOR-UHFFFAOYSA-N
XLogP4.48
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 54.48
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 1-cyclohexyl-3-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]urea (CID 142632462) is 1-cyclohexyl-3-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]urea is CC(C)CC(NC(=O)NC1CCCCC1)C(=O)NNc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-cyclohexyl-3-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]urea?
The InChIKey is LOGXENGBMZWLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28Cl2N4O2/c1-12(2)10-17(23-19(27)22-14-6-4-3-5-7-14)18(26)25-24-16-9-8-13(20)11-15(16)21/h8-9,11-12,14,17,24H,3-7,10H2,1-2H3,(H,25,26)(H2,22,23,27).
What are the key properties of 1-cyclohexyl-3-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]urea?
1-cyclohexyl-3-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]urea has a molecular weight of 415.37 g/mol, XLogP of 4.48, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]urea is sourced from PubChem (CID 142632462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).