1-(1-benzothiophen-3-yl)-3-(3-chloro-4-fluorophenyl)urea

C15H10ClFN2OS — CID 2816295

IUPAC1-(1-benzothiophen-3-yl)-3-(3-chloro-4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1csc2ccccc12
InChIInChI=1S/C15H10ClFN2OS/c16-11-7-9(5-6-12(11)17)18-15(20)19-13-8-21-14-4-2-1-3-10(13)14/h1-8H,(H2,18,19,20)
InChIKeyYRABZAGBOFYJDM-UHFFFAOYSA-N
MW320.78 g/mol
LogP5.34
Rot. Bonds2

About 1-(1-benzothiophen-3-yl)-3-(3-chloro-4-fluorophenyl)urea

1-(1-benzothiophen-3-yl)-3-(3-chloro-4-fluorophenyl)urea (PubChem CID 2816295) has the molecular formula C15H10ClFN2OS and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-(3-chloro-4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-(3-chloro-4-fluorophenyl)urea
PubChem CID2816295
Molecular FormulaC15H10ClFN2OS
Molecular Weight320.78 g/mol
Exact Mass320.02
IUPAC Name1-(1-benzothiophen-3-yl)-3-(3-chloro-4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1csc2ccccc12
InChIInChI=1S/C15H10ClFN2OS/c16-11-7-9(5-6-12(11)17)18-15(20)19-13-8-21-14-4-2-1-3-10(13)14/h1-8H,(H2,18,19,20)
InChIKeyYRABZAGBOFYJDM-UHFFFAOYSA-N
XLogP5.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.78
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzothiophen-3-yl)-N'-phenylurea
CID 2813497
N-(1-benzothiophen-3-yl)-N'-[4-(dimethylamino)phenyl]urea
CID 2813498
N-(1-benzothiophen-3-yl)-N'-(2,4-difluorophenyl)urea
CID 2816287
1-(4-Chlorophenyl)-3-(3-thiophen-3-ylphenyl)urea
CID 135376124
1-(4-Chlorophenyl)-3-[3-(5-methylthiophen-3-yl)phenyl]urea
CID 135376391
1-(4-Chlorophenyl)-3-[5-(3-fluorophenyl)thiophen-2-yl]urea
CID 155436492
1-(4-Chlorophenyl)-3-[5-(4-fluorophenyl)thiophen-2-yl]urea
CID 155436644
1-(4-Chlorophenyl)-3-(4-phenylthiophen-2-yl)urea
CID 155436645
1-(4-Chlorophenyl)-3-[5-(2,4-difluorophenyl)thiophen-2-yl]urea
CID 155436714
1-(4-Chlorophenyl)-3-(5-phenylthiophen-3-yl)urea
CID 155436719
N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 155516839
N-benzo[b]thiophen-3-ylmethyl-N'-(3,5-dichlorophenyl)urea
CID 2732430

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-(3-chloro-4-fluorophenyl)urea?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-(3-chloro-4-fluorophenyl)urea (CID 2816295) is 1-(1-benzothiophen-3-yl)-3-(3-chloro-4-fluorophenyl)urea.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-(3-chloro-4-fluorophenyl)urea?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-(3-chloro-4-fluorophenyl)urea is O=C(Nc1ccc(F)c(Cl)c1)Nc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-(3-chloro-4-fluorophenyl)urea?
The InChIKey is YRABZAGBOFYJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2OS/c16-11-7-9(5-6-12(11)17)18-15(20)19-13-8-21-14-4-2-1-3-10(13)14/h1-8H,(H2,18,19,20).
What are the key properties of 1-(1-benzothiophen-3-yl)-3-(3-chloro-4-fluorophenyl)urea?
1-(1-benzothiophen-3-yl)-3-(3-chloro-4-fluorophenyl)urea has a molecular weight of 320.78 g/mol, XLogP of 5.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-(3-chloro-4-fluorophenyl)urea is sourced from PubChem (CID 2816295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).