1-acetamido-3-(3-chlorophenyl)urea

C9H10ClN3O2 — CID 5080174

IUPAC1-acetamido-3-(3-chlorophenyl)urea
SMILESCC(=O)NNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C9H10ClN3O2/c1-6(14)12-13-9(15)11-8-4-2-3-7(10)5-8/h2-5H,1H3,(H,12,14)(H2,11,13,15)
InChIKeyZLROJCVFLQMOEV-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.51
Rot. Bonds1

About 1-acetamido-3-(3-chlorophenyl)urea

1-acetamido-3-(3-chlorophenyl)urea (PubChem CID 5080174) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 1-acetamido-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-acetamido-3-(3-chlorophenyl)urea
PubChem CID5080174
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name1-acetamido-3-(3-chlorophenyl)urea
SMILESCC(=O)NNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C9H10ClN3O2/c1-6(14)12-13-9(15)11-8-4-2-3-7(10)5-8/h2-5H,1H3,(H,12,14)(H2,11,13,15)
InChIKeyZLROJCVFLQMOEV-UHFFFAOYSA-N
XLogP1.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-3-(3-chlorophenyl)urea?
The IUPAC name of 1-acetamido-3-(3-chlorophenyl)urea (CID 5080174) is 1-acetamido-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-acetamido-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-acetamido-3-(3-chlorophenyl)urea is CC(=O)NNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-acetamido-3-(3-chlorophenyl)urea?
The InChIKey is ZLROJCVFLQMOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-6(14)12-13-9(15)11-8-4-2-3-7(10)5-8/h2-5H,1H3,(H,12,14)(H2,11,13,15).
What are the key properties of 1-acetamido-3-(3-chlorophenyl)urea?
1-acetamido-3-(3-chlorophenyl)urea has a molecular weight of 227.65 g/mol, XLogP of 1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-3-(3-chlorophenyl)urea is sourced from PubChem (CID 5080174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).