1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea

C15H15IN2O2 — CID 47192993

IUPAC1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)Nc2ccccc2I)c1
InChIInChI=1S/C15H15IN2O2/c1-20-12-6-4-5-11(9-12)10-17-15(19)18-14-8-3-2-7-13(14)16/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyKEQFYQRYULLGIL-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.62
Rot. Bonds4

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

1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 47192993) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is 1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea
PubChem CID47192993
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC Name1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)Nc2ccccc2I)c1
InChIInChI=1S/C15H15IN2O2/c1-20-12-6-4-5-11(9-12)10-17-15(19)18-14-8-3-2-7-13(14)16/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyKEQFYQRYULLGIL-UHFFFAOYSA-N
XLogP3.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.62
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-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea
CID 60603716
1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea
CID 108868945
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
CID 49119455
1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 52594310
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
1-(2-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4118863
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea
CID 23938828
1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 47034671
1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea (CID 47192993) is 1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)Nc2ccccc2I)c1.
What is the InChIKey of 1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is KEQFYQRYULLGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O2/c1-20-12-6-4-5-11(9-12)10-17-15(19)18-14-8-3-2-7-13(14)16/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea?
1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 382.20 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 47192993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).