1-(3-chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea

C12H10Cl2N2OS — CID 2808135

IUPAC1-(3-chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea
SMILESO=C(NCc1sccc1Cl)Nc1cccc(Cl)c1
InChIInChI=1S/C12H10Cl2N2OS/c13-8-2-1-3-9(6-8)16-12(17)15-7-11-10(14)4-5-18-11/h1-6H,7H2,(H2,15,16,17)
InChIKeyIUYIXTDLVWARDA-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.38
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea

1-(3-chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea (PubChem CID 2808135) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea
PubChem CID2808135
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name1-(3-chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea
SMILESO=C(NCc1sccc1Cl)Nc1cccc(Cl)c1
InChIInChI=1S/C12H10Cl2N2OS/c13-8-2-1-3-9(6-8)16-12(17)15-7-11-10(14)4-5-18-11/h1-6H,7H2,(H2,15,16,17)
InChIKeyIUYIXTDLVWARDA-UHFFFAOYSA-N
XLogP4.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea (CID 2808135) is 1-(3-chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea is O=C(NCc1sccc1Cl)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea?
The InChIKey is IUYIXTDLVWARDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c13-8-2-1-3-9(6-8)16-12(17)15-7-11-10(14)4-5-18-11/h1-6H,7H2,(H2,15,16,17).
What are the key properties of 1-(3-chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea?
1-(3-chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea has a molecular weight of 301.20 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea is sourced from PubChem (CID 2808135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).