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

C₁₇H₁₁Cl₃N₂OS — CID 155436506

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

1-(4-chlorophenyl)-3-[5-(3,4-dichlorophenyl)thiophen-2-yl]urea (PubChem CID 155436506) has the molecular formula C₁₇H₁₁Cl₃N₂OS and a molecular weight of 397.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[5-(3,4-dichlorophenyl)thiophen-2-yl]urea.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-3-[5-(3,4-dichlorophenyl)thiophen-2-yl]urea
• PubChem CID: 155436506
• Molecular Formula: C₁₇H₁₁Cl₃N₂OS
• Molecular Weight: 397.71 g/mol
• Exact Mass: 395.97
• IUPAC Name: 1-(4-chlorophenyl)-3-[5-(3,4-dichlorophenyl)thiophen-2-yl]urea
• SMILES: O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccc(Cl)c(Cl)c2)s1
• InChI: InChI=1S/C17H11Cl3N2OS/c18-11-2-4-12(5-3-11)21-17(23)22-16-8-7-15(24-16)10-1-6-13(19)14(20)9-10/h1-9H,(H2,21,22,23)
• InChIKey: OLULDLCUJJCASL-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 41.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.71
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[5-(3,4-dichlorophenyl)thiophen-2-yl]urea?

The IUPAC name of 1-(4-chlorophenyl)-3-[5-(3,4-dichlorophenyl)thiophen-2-yl]urea (CID 155436506) is 1-(4-chlorophenyl)-3-[5-(3,4-dichlorophenyl)thiophen-2-yl]urea.

What is the SMILES notation for 1-(4-chlorophenyl)-3-[5-(3,4-dichlorophenyl)thiophen-2-yl]urea?

The canonical SMILES for 1-(4-chlorophenyl)-3-[5-(3,4-dichlorophenyl)thiophen-2-yl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccc(Cl)c(Cl)c2)s1.

What is the InChIKey of 1-(4-chlorophenyl)-3-[5-(3,4-dichlorophenyl)thiophen-2-yl]urea?

The InChIKey is OLULDLCUJJCASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2OS/c18-11-2-4-12(5-3-11)21-17(23)22-16-8-7-15(24-16)10-1-6-13(19)14(20)9-10/h1-9H,(H2,21,22,23).

What are the key properties of 1-(4-chlorophenyl)-3-[5-(3,4-dichlorophenyl)thiophen-2-yl]urea?

1-(4-chlorophenyl)-3-[5-(3,4-dichlorophenyl)thiophen-2-yl]urea has a molecular weight of 397.71 g/mol, XLogP of 7.02, 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-(3,4-dichlorophenyl)thiophen-2-yl]urea is sourced from PubChem (CID 155436506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155436506 — identifiers, structure, computed properties (public domain)

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