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

C15H13ClN2O2 — CID 734393

IUPAC1-(4-acetylphenyl)-3-(3-chlorophenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H13ClN2O2/c1-10(19)11-5-7-13(8-6-11)17-15(20)18-14-4-2-3-12(16)9-14/h2-9H,1H3,(H2,17,18,20)
InChIKeyPWWHZOQXRNMTRH-UHFFFAOYSA-N
MW288.73 g/mol
LogP4.19
Rot. Bonds3

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

1-(4-acetylphenyl)-3-(3-chlorophenyl)urea (PubChem CID 734393) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(3-chlorophenyl)urea
PubChem CID734393
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name1-(4-acetylphenyl)-3-(3-chlorophenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H13ClN2O2/c1-10(19)11-5-7-13(8-6-11)17-15(20)18-14-4-2-3-12(16)9-14/h2-9H,1H3,(H2,17,18,20)
InChIKeyPWWHZOQXRNMTRH-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(3-chlorophenyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(3-chlorophenyl)urea (CID 734393) is 1-(4-acetylphenyl)-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(3-chlorophenyl)urea is CC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(3-chlorophenyl)urea?
The InChIKey is PWWHZOQXRNMTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-10(19)11-5-7-13(8-6-11)17-15(20)18-14-4-2-3-12(16)9-14/h2-9H,1H3,(H2,17,18,20).
What are the key properties of 1-(4-acetylphenyl)-3-(3-chlorophenyl)urea?
1-(4-acetylphenyl)-3-(3-chlorophenyl)urea has a molecular weight of 288.73 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(3-chlorophenyl)urea is sourced from PubChem (CID 734393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).