3-(2,5-dichlorophenyl)-1-methyl-1-phenylurea

C14H12Cl2N2O — CID 3418000

IUPAC3-(2,5-dichlorophenyl)-1-methyl-1-phenylurea
SMILESCN(C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C14H12Cl2N2O/c1-18(11-5-3-2-4-6-11)14(19)17-13-9-10(15)7-8-12(13)16/h2-9H,1H3,(H,17,19)
InChIKeyKHFXQWIBKKSFOD-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.66
Rot. Bonds2

About 3-(2,5-dichlorophenyl)-1-methyl-1-phenylurea

3-(2,5-dichlorophenyl)-1-methyl-1-phenylurea (PubChem CID 3418000) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-1-methyl-1-phenylurea.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-1-methyl-1-phenylurea
PubChem CID3418000
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name3-(2,5-dichlorophenyl)-1-methyl-1-phenylurea
SMILESCN(C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C14H12Cl2N2O/c1-18(11-5-3-2-4-6-11)14(19)17-13-9-10(15)7-8-12(13)16/h2-9H,1H3,(H,17,19)
InChIKeyKHFXQWIBKKSFOD-UHFFFAOYSA-N
XLogP4.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-1-methyl-1-phenylurea?
The IUPAC name of 3-(2,5-dichlorophenyl)-1-methyl-1-phenylurea (CID 3418000) is 3-(2,5-dichlorophenyl)-1-methyl-1-phenylurea.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-1-methyl-1-phenylurea?
The canonical SMILES for 3-(2,5-dichlorophenyl)-1-methyl-1-phenylurea is CN(C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 3-(2,5-dichlorophenyl)-1-methyl-1-phenylurea?
The InChIKey is KHFXQWIBKKSFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-18(11-5-3-2-4-6-11)14(19)17-13-9-10(15)7-8-12(13)16/h2-9H,1H3,(H,17,19).
What are the key properties of 3-(2,5-dichlorophenyl)-1-methyl-1-phenylurea?
3-(2,5-dichlorophenyl)-1-methyl-1-phenylurea has a molecular weight of 295.17 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-1-methyl-1-phenylurea is sourced from PubChem (CID 3418000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).