1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea

C12H15IN2O2 — CID 47193009

IUPAC1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)Nc1ccccc1I
InChIInChI=1S/C12H15IN2O2/c13-10-5-1-2-6-11(10)15-12(16)14-8-9-4-3-7-17-9/h1-2,5-6,9H,3-4,7-8H2,(H2,14,15,16)
InChIKeyZKRQJEZZSVZQDN-UHFFFAOYSA-N
MW346.17 g/mol
LogP2.59
Rot. Bonds3

About 1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea

1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 47193009) has the molecular formula C12H15IN2O2 and a molecular weight of 346.17 g/mol. Its IUPAC name is 1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea
PubChem CID47193009
Molecular FormulaC12H15IN2O2
Molecular Weight346.17 g/mol
Exact Mass346.02
IUPAC Name1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)Nc1ccccc1I
InChIInChI=1S/C12H15IN2O2/c13-10-5-1-2-6-11(10)15-12(16)14-8-9-4-3-7-17-9/h1-2,5-6,9H,3-4,7-8H2,(H2,14,15,16)
InChIKeyZKRQJEZZSVZQDN-UHFFFAOYSA-N
XLogP2.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-iodophenyl)-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

Related Compounds

1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
1-(2-methylsulfanylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92967958
1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47032264
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47042572
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-iodophenyl)urea
CID 108869065
1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109045666
1-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97453837
1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea (CID 47193009) is 1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea is O=C(NCC1CCCO1)Nc1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is ZKRQJEZZSVZQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O2/c13-10-5-1-2-6-11(10)15-12(16)14-8-9-4-3-7-17-9/h1-2,5-6,9H,3-4,7-8H2,(H2,14,15,16).
What are the key properties of 1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea?
1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 346.17 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 47193009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).