1-[4-(2-oxoethyl)phenyl]-1-phenylurea

C15H14N2O2 — CID 91426853

IUPAC1-[4-(2-oxoethyl)phenyl]-1-phenylurea
SMILESNC(=O)N(c1ccccc1)c1ccc(CC=O)cc1
InChIInChI=1S/C15H14N2O2/c16-15(19)17(13-4-2-1-3-5-13)14-8-6-12(7-9-14)10-11-18/h1-9,11H,10H2,(H2,16,19)
InChIKeyOZGYFKVVACRWSG-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.64
Rot. Bonds4

About 1-[4-(2-oxoethyl)phenyl]-1-phenylurea

1-[4-(2-oxoethyl)phenyl]-1-phenylurea (PubChem CID 91426853) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[4-(2-oxoethyl)phenyl]-1-phenylurea.

Molecular Properties

Compound Name1-[4-(2-oxoethyl)phenyl]-1-phenylurea
PubChem CID91426853
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-[4-(2-oxoethyl)phenyl]-1-phenylurea
SMILESNC(=O)N(c1ccccc1)c1ccc(CC=O)cc1
InChIInChI=1S/C15H14N2O2/c16-15(19)17(13-4-2-1-3-5-13)14-8-6-12(7-9-14)10-11-18/h1-9,11H,10H2,(H2,16,19)
InChIKeyOZGYFKVVACRWSG-UHFFFAOYSA-N
XLogP2.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1,1-diphenylurea
CID 174849888
1-(4-formylphenyl)-1-phenylurea
CID 57262410
butane;1,1-diphenylurea
CID 70397101
1-phenyl-1-(4-phenylphenyl)urea
CID 90698606
N,N-dimethylmethanamine;2-phenylacetaldehyde
CID 87974312
lithium;hydride;2-phenylacetaldehyde
CID 173089556
2-[4-(dimethylamino)phenyl]acetaldehyde
CID 15114335
methyl hydrogen carbonate;2-phenylacetaldehyde
CID 175092622
2-(N-carbamoylanilino)benzamide
CID 68726010
1-(2-fluorophenyl)-1-phenylurea
CID 150840267
1-(2-chlorophenyl)-1-(4-ethylphenyl)urea
CID 174390843
1-(4-benzylphenyl)-1-(2-methyl-6-piperidin-1-ylphenyl)urea
CID 90258559

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxoethyl)phenyl]-1-phenylurea?
The IUPAC name of 1-[4-(2-oxoethyl)phenyl]-1-phenylurea (CID 91426853) is 1-[4-(2-oxoethyl)phenyl]-1-phenylurea.
What is the SMILES notation for 1-[4-(2-oxoethyl)phenyl]-1-phenylurea?
The canonical SMILES for 1-[4-(2-oxoethyl)phenyl]-1-phenylurea is NC(=O)N(c1ccccc1)c1ccc(CC=O)cc1.
What is the InChIKey of 1-[4-(2-oxoethyl)phenyl]-1-phenylurea?
The InChIKey is OZGYFKVVACRWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-15(19)17(13-4-2-1-3-5-13)14-8-6-12(7-9-14)10-11-18/h1-9,11H,10H2,(H2,16,19).
What are the key properties of 1-[4-(2-oxoethyl)phenyl]-1-phenylurea?
1-[4-(2-oxoethyl)phenyl]-1-phenylurea has a molecular weight of 254.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxoethyl)phenyl]-1-phenylurea is sourced from PubChem (CID 91426853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).