1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea

C13H8Cl3FN2O — CID 108896387

IUPAC1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1Cl)Nc1c(F)cccc1Cl
InChIInChI=1S/C13H8Cl3FN2O/c14-7-4-5-11(9(16)6-7)18-13(20)19-12-8(15)2-1-3-10(12)17/h1-6H,(H2,18,19,20)
InChIKeyGRJOKGPZNRSMPP-UHFFFAOYSA-N
MW333.58 g/mol
LogP5.43
Rot. Bonds2

About 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea

1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea (PubChem CID 108896387) has the molecular formula C13H8Cl3FN2O and a molecular weight of 333.58 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea
PubChem CID108896387
Molecular FormulaC13H8Cl3FN2O
Molecular Weight333.58 g/mol
Exact Mass331.97
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1Cl)Nc1c(F)cccc1Cl
InChIInChI=1S/C13H8Cl3FN2O/c14-7-4-5-11(9(16)6-7)18-13(20)19-12-8(15)2-1-3-10(12)17/h1-6H,(H2,18,19,20)
InChIKeyGRJOKGPZNRSMPP-UHFFFAOYSA-N
XLogP5.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.58
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-dichlorophenyl)-2-(2,6-difluoroanilino)acetamide
CID 78822630
1-(2-chloro-6-fluorophenyl)-3-methylurea
CID 21161279
N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 108896360
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea
CID 108896576
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
CID 4251822
1-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3-(2,6-difluorophenyl)urea
CID 142632468
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615
1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea
CID 16771122

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea (CID 108896387) is 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea is O=C(Nc1ccc(Cl)cc1Cl)Nc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea?
The InChIKey is GRJOKGPZNRSMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3FN2O/c14-7-4-5-11(9(16)6-7)18-13(20)19-12-8(15)2-1-3-10(12)17/h1-6H,(H2,18,19,20).
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea?
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea has a molecular weight of 333.58 g/mol, XLogP of 5.43, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea is sourced from PubChem (CID 108896387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).