1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea

C17H19IN2O2 — CID 108884390

IUPAC1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea
SMILESCCOc1ccc(CNC(=O)Nc2ccc(I)cc2C)cc1
InChIInChI=1S/C17H19IN2O2/c1-3-22-15-7-4-13(5-8-15)11-19-17(21)20-16-9-6-14(18)10-12(16)2/h4-10H,3,11H2,1-2H3,(H2,19,20,21)
InChIKeyZUEJRKOEPAHHHW-UHFFFAOYSA-N
MW410.26 g/mol
LogP4.32
Rot. Bonds5

About 1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea

1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea (PubChem CID 108884390) has the molecular formula C17H19IN2O2 and a molecular weight of 410.26 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea
PubChem CID108884390
Molecular FormulaC17H19IN2O2
Molecular Weight410.26 g/mol
Exact Mass410.05
IUPAC Name1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea
SMILESCCOc1ccc(CNC(=O)Nc2ccc(I)cc2C)cc1
InChIInChI=1S/C17H19IN2O2/c1-3-22-15-7-4-13(5-8-15)11-19-17(21)20-16-9-6-14(18)10-12(16)2/h4-10H,3,11H2,1-2H3,(H2,19,20,21)
InChIKeyZUEJRKOEPAHHHW-UHFFFAOYSA-N
XLogP4.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 54.32
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

4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 1350175
1-(4-butoxy-2-methylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 60554481
1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884299
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 108884386
3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 23733721
N-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide
CID 86827079
1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868243
N'-(4-ethoxy-2-methylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]oxamide
CID 86827111
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
(Z)-2-cyano-3-(4-ethoxyanilino)-N-(4-iodo-2-methylphenyl)prop-2-enamide
CID 108860053
1-(4-ethoxy-2-methylphenyl)-3-[(3-ethyl-4-pyridinyl)methyl]urea
CID 75449082

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea (CID 108884390) is 1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea is CCOc1ccc(CNC(=O)Nc2ccc(I)cc2C)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea?
The InChIKey is ZUEJRKOEPAHHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O2/c1-3-22-15-7-4-13(5-8-15)11-19-17(21)20-16-9-6-14(18)10-12(16)2/h4-10H,3,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea?
1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea has a molecular weight of 410.26 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea is sourced from PubChem (CID 108884390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).