1-(2-iodophenyl)-3-(3-phenylpropyl)urea

C16H17IN2O — CID 47192907

IUPAC1-(2-iodophenyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)Nc1ccccc1I
InChIInChI=1S/C16H17IN2O/c17-14-10-4-5-11-15(14)19-16(20)18-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H2,18,19,20)
InChIKeyKAAMLZRAMJSTEM-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.05
Rot. Bonds5

About 1-(2-iodophenyl)-3-(3-phenylpropyl)urea

1-(2-iodophenyl)-3-(3-phenylpropyl)urea (PubChem CID 47192907) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is 1-(2-iodophenyl)-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(2-iodophenyl)-3-(3-phenylpropyl)urea
PubChem CID47192907
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC Name1-(2-iodophenyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)Nc1ccccc1I
InChIInChI=1S/C16H17IN2O/c17-14-10-4-5-11-15(14)19-16(20)18-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H2,18,19,20)
InChIKeyKAAMLZRAMJSTEM-UHFFFAOYSA-N
XLogP4.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-iodophenyl)-3-(3-phenylpropyl)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-hydroxyphenyl)-3-(4-phenylbutyl)urea
CID 108871644
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea
CID 108990499
1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea
CID 108868960
1-[2-[bis[2-(3-phenylpropylcarbamoylamino)ethyl]amino]ethyl]-3-(3-phenylpropyl)urea
CID 101049094
1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
CID 108884934
1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea
CID 24818673
2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid
CID 61264191
1-(2-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4118863
1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea
CID 108868945

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-3-(3-phenylpropyl)urea?
The IUPAC name of 1-(2-iodophenyl)-3-(3-phenylpropyl)urea (CID 47192907) is 1-(2-iodophenyl)-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(2-iodophenyl)-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-(2-iodophenyl)-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)Nc1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-3-(3-phenylpropyl)urea?
The InChIKey is KAAMLZRAMJSTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c17-14-10-4-5-11-15(14)19-16(20)18-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H2,18,19,20).
What are the key properties of 1-(2-iodophenyl)-3-(3-phenylpropyl)urea?
1-(2-iodophenyl)-3-(3-phenylpropyl)urea has a molecular weight of 380.23 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-3-(3-phenylpropyl)urea is sourced from PubChem (CID 47192907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).