1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea

C15H13Cl2FN2O — CID 108900131

IUPAC1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccccc1F)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2FN2O/c16-11-5-3-6-12(17)14(11)20-15(21)19-9-8-10-4-1-2-7-13(10)18/h1-7H,8-9H2,(H2,19,20,21)
InChIKeyMLEQCSQVUXZHSI-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.50
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea

1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea (PubChem CID 108900131) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
PubChem CID108900131
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccccc1F)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2FN2O/c16-11-5-3-6-12(17)14(11)20-15(21)19-9-8-10-4-1-2-7-13(10)18/h1-7H,8-9H2,(H2,19,20,21)
InChIKeyMLEQCSQVUXZHSI-UHFFFAOYSA-N
XLogP4.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897575
N-(2,6-dichlorophenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000245
1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900021
1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900168
1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108900009
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985302
1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 60588730
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900136
3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide
CID 43146096
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292
1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902007

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea (CID 108900131) is 1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea is O=C(NCCc1ccccc1F)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
The InChIKey is MLEQCSQVUXZHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c16-11-5-3-6-12(17)14(11)20-15(21)19-9-8-10-4-1-2-7-13(10)18/h1-7H,8-9H2,(H2,19,20,21).
What are the key properties of 1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea has a molecular weight of 327.19 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 108900131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).