3-(4-chlorophenyl)-1-methyl-1-phenylurea

C14H13ClN2O — CID 711275

IUPAC3-(4-chlorophenyl)-1-methyl-1-phenylurea
SMILESCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H13ClN2O/c1-17(13-5-3-2-4-6-13)14(18)16-12-9-7-11(15)8-10-12/h2-10H,1H3,(H,16,18)
InChIKeyGUINGYNEXZJZNT-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.01
Rot. Bonds2

About 3-(4-chlorophenyl)-1-methyl-1-phenylurea

3-(4-chlorophenyl)-1-methyl-1-phenylurea (PubChem CID 711275) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-1-phenylurea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-1-phenylurea
PubChem CID711275
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name3-(4-chlorophenyl)-1-methyl-1-phenylurea
SMILESCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H13ClN2O/c1-17(13-5-3-2-4-6-13)14(18)16-12-9-7-11(15)8-10-12/h2-10H,1H3,(H,16,18)
InChIKeyGUINGYNEXZJZNT-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methyl-1-phenylurea?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-1-phenylurea (CID 711275) is 3-(4-chlorophenyl)-1-methyl-1-phenylurea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-1-phenylurea?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-1-phenylurea is CN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-1-phenylurea?
The InChIKey is GUINGYNEXZJZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-17(13-5-3-2-4-6-13)14(18)16-12-9-7-11(15)8-10-12/h2-10H,1H3,(H,16,18).
What are the key properties of 3-(4-chlorophenyl)-1-methyl-1-phenylurea?
3-(4-chlorophenyl)-1-methyl-1-phenylurea has a molecular weight of 260.72 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methyl-1-phenylurea is sourced from PubChem (CID 711275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).