1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea

C9H9Cl3N2O2 — CID 119026702

IUPAC1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea
SMILESO=C(NCCO)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H9Cl3N2O2/c10-5-3-7(12)8(4-6(5)11)14-9(16)13-1-2-15/h3-4,15H,1-2H2,(H2,13,14,16)
InChIKeyRKIHFYHNAKMAEB-UHFFFAOYSA-N
MW283.54 g/mol
LogP2.76
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea

1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea (PubChem CID 119026702) has the molecular formula C9H9Cl3N2O2 and a molecular weight of 283.54 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea
PubChem CID119026702
Molecular FormulaC9H9Cl3N2O2
Molecular Weight283.54 g/mol
Exact Mass281.97
IUPAC Name1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea
SMILESO=C(NCCO)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H9Cl3N2O2/c10-5-3-7(12)8(4-6(5)11)14-9(16)13-1-2-15/h3-4,15H,1-2H2,(H2,13,14,16)
InChIKeyRKIHFYHNAKMAEB-UHFFFAOYSA-N
XLogP2.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.54
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea
CID 3793691
2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide
CID 43146050
2-hydroxy-3-[(2,4,5-trichlorophenyl)carbamoylamino]propanoic acid
CID 66166112
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea
CID 110894267
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea
CID 47238015
N-(2,4,5-trichlorophenyl)carbamoyl fluoride
CID 88834556
5-[(2,5-dichloro-4-methylphenyl)carbamoylamino]pentanoic acid
CID 104727709
1-(5-bromo-4-chloro-3-pyridinyl)-3-(2-hydroxyethyl)urea
CID 110010971
(2S)-2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 794436
2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 2841118
1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
CID 47442366
N'-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)oxamide
CID 78843041

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea (CID 119026702) is 1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea is O=C(NCCO)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea?
The InChIKey is RKIHFYHNAKMAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl3N2O2/c10-5-3-7(12)8(4-6(5)11)14-9(16)13-1-2-15/h3-4,15H,1-2H2,(H2,13,14,16).
What are the key properties of 1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea?
1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea has a molecular weight of 283.54 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(2,4,5-trichlorophenyl)urea is sourced from PubChem (CID 119026702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).