1-(4-chlorophenyl)-3-(oxolan-2-ylmethyl)urea

C12H15ClN2O2 — CID 2788429

IUPAC1-(4-chlorophenyl)-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2/c13-9-3-5-10(6-4-9)15-12(16)14-8-11-2-1-7-17-11/h3-6,11H,1-2,7-8H2,(H2,14,15,16)
InChIKeyHMQHVBWYODJWNW-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.64
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(oxolan-2-ylmethyl)urea

1-(4-chlorophenyl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 2788429) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(oxolan-2-ylmethyl)urea
PubChem CID2788429
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name1-(4-chlorophenyl)-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2/c13-9-3-5-10(6-4-9)15-12(16)14-8-11-2-1-7-17-11/h3-6,11H,1-2,7-8H2,(H2,14,15,16)
InChIKeyHMQHVBWYODJWNW-UHFFFAOYSA-N
XLogP2.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-3-(oxolan-2-ylmethyl)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-(4-chlorophenyl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(oxolan-2-ylmethyl)urea (CID 2788429) is 1-(4-chlorophenyl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(oxolan-2-ylmethyl)urea is O=C(NCC1CCCO1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is HMQHVBWYODJWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-9-3-5-10(6-4-9)15-12(16)14-8-11-2-1-7-17-11/h3-6,11H,1-2,7-8H2,(H2,14,15,16).
What are the key properties of 1-(4-chlorophenyl)-3-(oxolan-2-ylmethyl)urea?
1-(4-chlorophenyl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 254.72 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 2788429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).