1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea

C17H19IN2O — CID 3868878

IUPAC1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)NCc1cccc(I)c1
InChIInChI=1S/C17H19IN2O/c1-12(2)15-8-3-4-9-16(15)20-17(21)19-11-13-6-5-7-14(18)10-13/h3-10,12H,11H2,1-2H3,(H2,19,20,21)
InChIKeySSVRPBRHDNOGRR-UHFFFAOYSA-N
MW394.26 g/mol
LogP4.74
Rot. Bonds4

About 1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea

1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea (PubChem CID 3868878) has the molecular formula C17H19IN2O and a molecular weight of 394.26 g/mol. Its IUPAC name is 1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea
PubChem CID3868878
Molecular FormulaC17H19IN2O
Molecular Weight394.26 g/mol
Exact Mass394.05
IUPAC Name1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)NCc1cccc(I)c1
InChIInChI=1S/C17H19IN2O/c1-12(2)15-8-3-4-9-16(15)20-17(21)19-11-13-6-5-7-14(18)10-13/h3-10,12H,11H2,1-2H3,(H2,19,20,21)
InChIKeySSVRPBRHDNOGRR-UHFFFAOYSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-[(3-iodophenyl)methyl]urea
CID 3677795
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 3613341
1-N-[(3-methylphenyl)methyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108975121
1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 23855015
1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea
CID 108868945
1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 47192993
3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105028
1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109054696
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339
1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 108899158
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(3-iodophenyl)methyl]urea
CID 3739428

Frequently Asked Questions

What is the IUPAC name of 1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea (CID 3868878) is 1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea is CC(C)c1ccccc1NC(=O)NCc1cccc(I)c1.
What is the InChIKey of 1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea?
The InChIKey is SSVRPBRHDNOGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O/c1-12(2)15-8-3-4-9-16(15)20-17(21)19-11-13-6-5-7-14(18)10-13/h3-10,12H,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea?
1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea has a molecular weight of 394.26 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 3868878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).