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

C10H12ClFN2O2 — CID 47194731

IUPAC1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O2/c1-16-5-4-13-10(15)14-7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3,(H2,13,14,15)
InChIKeyNUTRBVBKXJKJMD-UHFFFAOYSA-N
MW246.67 g/mol
LogP2.25
Rot. Bonds4

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

1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea (PubChem CID 47194731) has the molecular formula C10H12ClFN2O2 and a molecular weight of 246.67 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
PubChem CID47194731
Molecular FormulaC10H12ClFN2O2
Molecular Weight246.67 g/mol
Exact Mass246.06
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O2/c1-16-5-4-13-10(15)14-7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3,(H2,13,14,15)
InChIKeyNUTRBVBKXJKJMD-UHFFFAOYSA-N
XLogP2.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea
CID 47238015
1-(3-chloro-4-fluorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971573
1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976389
1-(3-chloro-4-fluorophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975360
1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea
CID 60591458
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea
CID 47349978
1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060
1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
CID 108991868
1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea
CID 112971005
1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea
CID 47033133
1-(3-chloro-4-fluorophenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452669

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea (CID 47194731) is 1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea is COCCNC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea?
The InChIKey is NUTRBVBKXJKJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2/c1-16-5-4-13-10(15)14-7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3,(H2,13,14,15).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea?
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea has a molecular weight of 246.67 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea is sourced from PubChem (CID 47194731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).