3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea

C11H14ClFN2O2 — CID 110930823

IUPAC3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C11H14ClFN2O2/c1-2-15(5-6-16)11(17)14-10-7-8(13)3-4-9(10)12/h3-4,7,16H,2,5-6H2,1H3,(H,14,17)
InChIKeyAMLSBQLVJVTZNH-UHFFFAOYSA-N
MW260.70 g/mol
LogP2.33
Rot. Bonds4

About 3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea

3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 110930823) has the molecular formula C11H14ClFN2O2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID110930823
Molecular FormulaC11H14ClFN2O2
Molecular Weight260.70 g/mol
Exact Mass260.07
IUPAC Name3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C11H14ClFN2O2/c1-2-15(5-6-16)11(17)14-10-7-8(13)3-4-9(10)12/h3-4,7,16H,2,5-6H2,1H3,(H,14,17)
InChIKeyAMLSBQLVJVTZNH-UHFFFAOYSA-N
XLogP2.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890389
3-(2,5-difluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120402
4-fluoro-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]benzoic acid
CID 61425387
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 47336227
3-[tert-butyl-[(2-chloro-5-fluorophenyl)carbamoyl]amino]propanoic acid
CID 107529783
2-[butan-2-yl-[(2-chloro-5-fluorophenyl)carbamoyl]amino]acetic acid
CID 107530003
3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 75451514
3-(2-amino-4-fluorophenyl)-1,1-diethylurea
CID 79154224
3-[(2-chloro-5-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 107530124
2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 61399303
2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 63692374

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea (CID 110930823) is 3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of 3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is AMLSBQLVJVTZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2/c1-2-15(5-6-16)11(17)14-10-7-8(13)3-4-9(10)12/h3-4,7,16H,2,5-6H2,1H3,(H,14,17).
What are the key properties of 3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 260.70 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110930823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).