1-(4-chlorophenyl)-3-(1-phenylethyl)urea

C15H15ClN2O — CID 3124520

IUPAC1-(4-chlorophenyl)-3-(1-phenylethyl)urea
SMILESCC(NC(=O)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-11(12-5-3-2-4-6-12)17-15(19)18-14-9-7-13(16)8-10-14/h2-11H,1H3,(H2,17,18,19)
InChIKeyHMZNHOXUJXXIMD-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.22
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(1-phenylethyl)urea

1-(4-chlorophenyl)-3-(1-phenylethyl)urea (PubChem CID 3124520) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1-phenylethyl)urea
PubChem CID3124520
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name1-(4-chlorophenyl)-3-(1-phenylethyl)urea
SMILESCC(NC(=O)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-11(12-5-3-2-4-6-12)17-15(19)18-14-9-7-13(16)8-10-14/h2-11H,1H3,(H2,17,18,19)
InChIKeyHMZNHOXUJXXIMD-UHFFFAOYSA-N
XLogP4.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1-phenylethyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(1-phenylethyl)urea (CID 3124520) is 1-(4-chlorophenyl)-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1-phenylethyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1-phenylethyl)urea is CC(NC(=O)Nc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1-phenylethyl)urea?
The InChIKey is HMZNHOXUJXXIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11(12-5-3-2-4-6-12)17-15(19)18-14-9-7-13(16)8-10-14/h2-11H,1H3,(H2,17,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-(1-phenylethyl)urea?
1-(4-chlorophenyl)-3-(1-phenylethyl)urea has a molecular weight of 274.75 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1-phenylethyl)urea is sourced from PubChem (CID 3124520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).