1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea

C9H10ClFN2O2 — CID 47238015

IUPAC1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H10ClFN2O2/c10-7-5-6(1-2-8(7)11)13-9(15)12-3-4-14/h1-2,5,14H,3-4H2,(H2,12,13,15)
InChIKeyIDUQGJVZIQUHNW-UHFFFAOYSA-N
MW232.64 g/mol
LogP1.59
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea

1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea (PubChem CID 47238015) has the molecular formula C9H10ClFN2O2 and a molecular weight of 232.64 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea
PubChem CID47238015
Molecular FormulaC9H10ClFN2O2
Molecular Weight232.64 g/mol
Exact Mass232.04
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H10ClFN2O2/c10-7-5-6(1-2-8(7)11)13-9(15)12-3-4-14/h1-2,5,14H,3-4H2,(H2,12,13,15)
InChIKeyIDUQGJVZIQUHNW-UHFFFAOYSA-N
XLogP1.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxyethyl)oxamide
CID 7585032
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
CID 47194731
1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976389
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 42766016
1-(3-chloro-4-fluorophenyl)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 108875010
1-(3-chloro-4-pyrrolidin-1-ylphenyl)-3-(2-hydroxyethyl)urea
CID 111426564
1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 51944513
1-(3-chloro-4-fluorophenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452669
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(3-chloro-4-fluorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971573
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea (CID 47238015) is 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea is O=C(NCCO)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea?
The InChIKey is IDUQGJVZIQUHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O2/c10-7-5-6(1-2-8(7)11)13-9(15)12-3-4-14/h1-2,5,14H,3-4H2,(H2,12,13,15).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea?
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea has a molecular weight of 232.64 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 47238015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).