1-(3-chlorophenyl)-3-(2-phenylethyl)urea

C15H15ClN2O — CID 791966

IUPAC1-(3-chlorophenyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O/c16-13-7-4-8-14(11-13)18-15(19)17-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H2,17,18,19)
InChIKeyNBSJGBXKNIJALD-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.70
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(2-phenylethyl)urea

1-(3-chlorophenyl)-3-(2-phenylethyl)urea (PubChem CID 791966) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2-phenylethyl)urea
PubChem CID791966
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name1-(3-chlorophenyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O/c16-13-7-4-8-14(11-13)18-15(19)17-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H2,17,18,19)
InChIKeyNBSJGBXKNIJALD-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2-phenylethyl)urea (CID 791966) is 1-(3-chlorophenyl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2-phenylethyl)urea?
The InChIKey is NBSJGBXKNIJALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-13-7-4-8-14(11-13)18-15(19)17-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H2,17,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-(2-phenylethyl)urea?
1-(3-chlorophenyl)-3-(2-phenylethyl)urea has a molecular weight of 274.75 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 791966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).