[4-(2-chloroacetyl)phenyl]urea

C9H9ClN2O2 — CID 52908206

IUPAC[4-(2-chloroacetyl)phenyl]urea
SMILESNC(=O)Nc1ccc(C(=O)CCl)cc1
InChIInChI=1S/C9H9ClN2O2/c10-5-8(13)6-1-3-7(4-2-6)12-9(11)14/h1-4H,5H2,(H3,11,12,14)
InChIKeyNTKLCVGZXFPCGL-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.60
Rot. Bonds3

About [4-(2-chloroacetyl)phenyl]urea

[4-(2-chloroacetyl)phenyl]urea (PubChem CID 52908206) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is [4-(2-chloroacetyl)phenyl]urea.

Molecular Properties

Compound Name[4-(2-chloroacetyl)phenyl]urea
PubChem CID52908206
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name[4-(2-chloroacetyl)phenyl]urea
SMILESNC(=O)Nc1ccc(C(=O)CCl)cc1
InChIInChI=1S/C9H9ClN2O2/c10-5-8(13)6-1-3-7(4-2-6)12-9(11)14/h1-4H,5H2,(H3,11,12,14)
InChIKeyNTKLCVGZXFPCGL-UHFFFAOYSA-N
XLogP1.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroacetyl)phenyl]urea?
The IUPAC name of [4-(2-chloroacetyl)phenyl]urea (CID 52908206) is [4-(2-chloroacetyl)phenyl]urea.
What is the SMILES notation for [4-(2-chloroacetyl)phenyl]urea?
The canonical SMILES for [4-(2-chloroacetyl)phenyl]urea is NC(=O)Nc1ccc(C(=O)CCl)cc1.
What is the InChIKey of [4-(2-chloroacetyl)phenyl]urea?
The InChIKey is NTKLCVGZXFPCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-5-8(13)6-1-3-7(4-2-6)12-9(11)14/h1-4H,5H2,(H3,11,12,14).
What are the key properties of [4-(2-chloroacetyl)phenyl]urea?
[4-(2-chloroacetyl)phenyl]urea has a molecular weight of 212.64 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroacetyl)phenyl]urea is sourced from PubChem (CID 52908206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).