[2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea

C9H9Cl3N4O2 — CID 18288669

IUPAC[2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea
SMILESNC(=O)NCC(=O)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl3N4O2/c10-4-1-5(11)8(6(12)2-4)16-15-7(17)3-14-9(13)18/h1-2,16H,3H2,(H,15,17)(H3,13,14,18)
InChIKeyHRYVUKQKUQXXJW-UHFFFAOYSA-N
MW311.56 g/mol
LogP1.76
Rot. Bonds4

About [2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea

[2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea (PubChem CID 18288669) has the molecular formula C9H9Cl3N4O2 and a molecular weight of 311.56 g/mol. Its IUPAC name is [2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea.

Molecular Properties

Compound Name[2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea
PubChem CID18288669
Molecular FormulaC9H9Cl3N4O2
Molecular Weight311.56 g/mol
Exact Mass309.98
IUPAC Name[2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea
SMILESNC(=O)NCC(=O)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl3N4O2/c10-4-1-5(11)8(6(12)2-4)16-15-7(17)3-14-9(13)18/h1-2,16H,3H2,(H,15,17)(H3,13,14,18)
InChIKeyHRYVUKQKUQXXJW-UHFFFAOYSA-N
XLogP1.76
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.56
LogP ≤ 51.76
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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Related Compounds

2-(4-hydroxyphenyl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 78838857
3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide
CID 30859132
4-[(2,4,6-trichloroanilino)carbamoyl]benzamide
CID 30859138
[3-methyl-1-oxo-1-[2-(2,4,6-trichlorophenyl)hydrazinyl]pentan-2-yl]urea
CID 5182658
3,4-dimethyl-N-[3-oxo-3-[2-(2,4,6-trichlorophenyl)hydrazinyl]propyl]benzenesulfonamide
CID 2415637
3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide
CID 60539641
2-cyclopent-2-en-1-yl-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 47113407
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 60547157
2-(2-ethoxyphenoxy)-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 26251366
2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 3981550
1-(2-methylprop-2-enyl)-3-(2,4,6-trichloroanilino)thiourea
CID 7942427
2-(2,4,6-trichloroanilino)acetic acid
CID 28992701

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea?
The IUPAC name of [2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea (CID 18288669) is [2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea.
What is the SMILES notation for [2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea?
The canonical SMILES for [2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea is NC(=O)NCC(=O)NNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of [2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea?
The InChIKey is HRYVUKQKUQXXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl3N4O2/c10-4-1-5(11)8(6(12)2-4)16-15-7(17)3-14-9(13)18/h1-2,16H,3H2,(H,15,17)(H3,13,14,18).
What are the key properties of [2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea?
[2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea has a molecular weight of 311.56 g/mol, XLogP of 1.76, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea is sourced from PubChem (CID 18288669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).