(1-chloro-3-phenylmethoxypropan-2-yl)urea

C11H15ClN2O2 — CID 86055606

IUPAC(1-chloro-3-phenylmethoxypropan-2-yl)urea
SMILESNC(=O)NC(CCl)COCc1ccccc1
InChIInChI=1S/C11H15ClN2O2/c12-6-10(14-11(13)15)8-16-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H3,13,14,15)
InChIKeyAWSMJYPDIWWDAU-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.48
Rot. Bonds6

About (1-chloro-3-phenylmethoxypropan-2-yl)urea

(1-chloro-3-phenylmethoxypropan-2-yl)urea (PubChem CID 86055606) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is (1-chloro-3-phenylmethoxypropan-2-yl)urea.

Molecular Properties

Compound Name(1-chloro-3-phenylmethoxypropan-2-yl)urea
PubChem CID86055606
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name(1-chloro-3-phenylmethoxypropan-2-yl)urea
SMILESNC(=O)NC(CCl)COCc1ccccc1
InChIInChI=1S/C11H15ClN2O2/c12-6-10(14-11(13)15)8-16-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H3,13,14,15)
InChIKeyAWSMJYPDIWWDAU-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-chloro-3-phenylmethoxypropan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-chloro-3-phenylmethoxypropan-2-yl)urea?
The IUPAC name of (1-chloro-3-phenylmethoxypropan-2-yl)urea (CID 86055606) is (1-chloro-3-phenylmethoxypropan-2-yl)urea.
What is the SMILES notation for (1-chloro-3-phenylmethoxypropan-2-yl)urea?
The canonical SMILES for (1-chloro-3-phenylmethoxypropan-2-yl)urea is NC(=O)NC(CCl)COCc1ccccc1.
What is the InChIKey of (1-chloro-3-phenylmethoxypropan-2-yl)urea?
The InChIKey is AWSMJYPDIWWDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-6-10(14-11(13)15)8-16-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H3,13,14,15).
What are the key properties of (1-chloro-3-phenylmethoxypropan-2-yl)urea?
(1-chloro-3-phenylmethoxypropan-2-yl)urea has a molecular weight of 242.71 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-3-phenylmethoxypropan-2-yl)urea is sourced from PubChem (CID 86055606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).