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

C16H16N2O2 — CID 2787268

IUPAC1-(3-acetylphenyl)-3-(4-methylphenyl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C16H16N2O2/c1-11-6-8-14(9-7-11)17-16(20)18-15-5-3-4-13(10-15)12(2)19/h3-10H,1-2H3,(H2,17,18,20)
InChIKeyKSXMTRFECJQCKX-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.84
Rot. Bonds3

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

1-(3-acetylphenyl)-3-(4-methylphenyl)urea (PubChem CID 2787268) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(4-methylphenyl)urea
PubChem CID2787268
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-(3-acetylphenyl)-3-(4-methylphenyl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C16H16N2O2/c1-11-6-8-14(9-7-11)17-16(20)18-15-5-3-4-13(10-15)12(2)19/h3-10H,1-2H3,(H2,17,18,20)
InChIKeyKSXMTRFECJQCKX-UHFFFAOYSA-N
XLogP3.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(4-methylphenyl)urea (CID 2787268) is 1-(3-acetylphenyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(4-methylphenyl)urea is CC(=O)c1cccc(NC(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(4-methylphenyl)urea?
The InChIKey is KSXMTRFECJQCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-6-8-14(9-7-11)17-16(20)18-15-5-3-4-13(10-15)12(2)19/h3-10H,1-2H3,(H2,17,18,20).
What are the key properties of 1-(3-acetylphenyl)-3-(4-methylphenyl)urea?
1-(3-acetylphenyl)-3-(4-methylphenyl)urea has a molecular weight of 268.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 2787268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).