1-(4-chlorophenyl)-3-[5-(2,4-difluorophenyl)thiophen-2-yl]urea

C17H11ClF2N2OS — CID 155436714

IUPAC1-(4-chlorophenyl)-3-[5-(2,4-difluorophenyl)thiophen-2-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccc(F)cc2F)s1
InChIInChI=1S/C17H11ClF2N2OS/c18-10-1-4-12(5-2-10)21-17(23)22-16-8-7-15(24-16)13-6-3-11(19)9-14(13)20/h1-9H,(H2,21,22,23)
InChIKeyBIRXGLNJESDGTF-UHFFFAOYSA-N
MW364.80 g/mol
LogP5.99
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[5-(2,4-difluorophenyl)thiophen-2-yl]urea

1-(4-chlorophenyl)-3-[5-(2,4-difluorophenyl)thiophen-2-yl]urea (PubChem CID 155436714) has the molecular formula C17H11ClF2N2OS and a molecular weight of 364.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[5-(2,4-difluorophenyl)thiophen-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[5-(2,4-difluorophenyl)thiophen-2-yl]urea
PubChem CID155436714
Molecular FormulaC17H11ClF2N2OS
Molecular Weight364.80 g/mol
Exact Mass364.02
IUPAC Name1-(4-chlorophenyl)-3-[5-(2,4-difluorophenyl)thiophen-2-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccc(F)cc2F)s1
InChIInChI=1S/C17H11ClF2N2OS/c18-10-1-4-12(5-2-10)21-17(23)22-16-8-7-15(24-16)13-6-3-11(19)9-14(13)20/h1-9H,(H2,21,22,23)
InChIKeyBIRXGLNJESDGTF-UHFFFAOYSA-N
XLogP5.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.80
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[5-(2,4-difluorophenyl)thiophen-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[5-(2,4-difluorophenyl)thiophen-2-yl]urea (CID 155436714) is 1-(4-chlorophenyl)-3-[5-(2,4-difluorophenyl)thiophen-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[5-(2,4-difluorophenyl)thiophen-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[5-(2,4-difluorophenyl)thiophen-2-yl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccc(F)cc2F)s1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[5-(2,4-difluorophenyl)thiophen-2-yl]urea?
The InChIKey is BIRXGLNJESDGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2OS/c18-10-1-4-12(5-2-10)21-17(23)22-16-8-7-15(24-16)13-6-3-11(19)9-14(13)20/h1-9H,(H2,21,22,23).
What are the key properties of 1-(4-chlorophenyl)-3-[5-(2,4-difluorophenyl)thiophen-2-yl]urea?
1-(4-chlorophenyl)-3-[5-(2,4-difluorophenyl)thiophen-2-yl]urea has a molecular weight of 364.80 g/mol, XLogP of 5.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[5-(2,4-difluorophenyl)thiophen-2-yl]urea is sourced from PubChem (CID 155436714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).