1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea

C11H6Cl2F2N2OS — CID 2805628

IUPAC1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1cc(Cl)sc1Cl
InChIInChI=1S/C11H6Cl2F2N2OS/c12-9-4-8(10(13)19-9)17-11(18)16-7-2-1-5(14)3-6(7)15/h1-4H,(H2,16,17,18)
InChIKeyIYIMZCOCHYOJGQ-UHFFFAOYSA-N
MW323.15 g/mol
LogP4.98
Rot. Bonds2

About 1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea

1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea (PubChem CID 2805628) has the molecular formula C11H6Cl2F2N2OS and a molecular weight of 323.15 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea
PubChem CID2805628
Molecular FormulaC11H6Cl2F2N2OS
Molecular Weight323.15 g/mol
Exact Mass321.95
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1cc(Cl)sc1Cl
InChIInChI=1S/C11H6Cl2F2N2OS/c12-9-4-8(10(13)19-9)17-11(18)16-7-2-1-5(14)3-6(7)15/h1-4H,(H2,16,17,18)
InChIKeyIYIMZCOCHYOJGQ-UHFFFAOYSA-N
XLogP4.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-hydroxyphenyl)-3-(2,4-difluorophenyl)urea
CID 64789111
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
2,5-dichloro-N-(2,5-difluorophenyl)thiophene-3-carboxamide
CID 51191647
1-(2,4-difluorophenyl)-3-(furan-2-yl)urea
CID 108868619
3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid
CID 43214101
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea
CID 17265299
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735
1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 115279853

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea (CID 2805628) is 1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea is O=C(Nc1ccc(F)cc1F)Nc1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea?
The InChIKey is IYIMZCOCHYOJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F2N2OS/c12-9-4-8(10(13)19-9)17-11(18)16-7-2-1-5(14)3-6(7)15/h1-4H,(H2,16,17,18).
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea?
1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea has a molecular weight of 323.15 g/mol, XLogP of 4.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 2805628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).