1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea

C17H19IN2O2 — CID 3716045

IUPAC1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea
SMILESCCOc1ccccc1CCNC(=O)Nc1cccc(I)c1
InChIInChI=1S/C17H19IN2O2/c1-2-22-16-9-4-3-6-13(16)10-11-19-17(21)20-15-8-5-7-14(18)12-15/h3-9,12H,2,10-11H2,1H3,(H2,19,20,21)
InChIKeyWQIHBMVVBXHKSX-UHFFFAOYSA-N
MW410.26 g/mol
LogP4.05
Rot. Bonds6

About 1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea

1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea (PubChem CID 3716045) has the molecular formula C17H19IN2O2 and a molecular weight of 410.26 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea
PubChem CID3716045
Molecular FormulaC17H19IN2O2
Molecular Weight410.26 g/mol
Exact Mass410.05
IUPAC Name1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea
SMILESCCOc1ccccc1CCNC(=O)Nc1cccc(I)c1
InChIInChI=1S/C17H19IN2O2/c1-2-22-16-9-4-3-6-13(16)10-11-19-17(21)20-15-8-5-7-14(18)12-15/h3-9,12H,2,10-11H2,1H3,(H2,19,20,21)
InChIKeyWQIHBMVVBXHKSX-UHFFFAOYSA-N
XLogP4.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 3502987
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 5221281
1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 3552165
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688
1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea
CID 44589284
4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide
CID 18229012
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 17087569
1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea
CID 100747319
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 42029830
1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 3732089
1-[(2-ethylphenoxy)methyl]-3-phenylurea
CID 108893317

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea?
The IUPAC name of 1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea (CID 3716045) is 1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea.
What is the SMILES notation for 1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea?
The canonical SMILES for 1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea is CCOc1ccccc1CCNC(=O)Nc1cccc(I)c1.
What is the InChIKey of 1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea?
The InChIKey is WQIHBMVVBXHKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O2/c1-2-22-16-9-4-3-6-13(16)10-11-19-17(21)20-15-8-5-7-14(18)12-15/h3-9,12H,2,10-11H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea?
1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea has a molecular weight of 410.26 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea is sourced from PubChem (CID 3716045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).