1-(4-iodo-2-methylphenyl)-3-methylurea

C9H11IN2O — CID 47127604

IUPAC1-(4-iodo-2-methylphenyl)-3-methylurea
SMILESCNC(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C9H11IN2O/c1-6-5-7(10)3-4-8(6)12-9(13)11-2/h3-5H,1-2H3,(H2,11,12,13)
InChIKeyMUHIGGOAJBPULA-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.35
Rot. Bonds1

About 1-(4-iodo-2-methylphenyl)-3-methylurea

1-(4-iodo-2-methylphenyl)-3-methylurea (PubChem CID 47127604) has the molecular formula C9H11IN2O and a molecular weight of 290.10 g/mol. Its IUPAC name is 1-(4-iodo-2-methylphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(4-iodo-2-methylphenyl)-3-methylurea
PubChem CID47127604
Molecular FormulaC9H11IN2O
Molecular Weight290.10 g/mol
Exact Mass289.99
IUPAC Name1-(4-iodo-2-methylphenyl)-3-methylurea
SMILESCNC(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C9H11IN2O/c1-6-5-7(10)3-4-8(6)12-9(13)11-2/h3-5H,1-2H3,(H2,11,12,13)
InChIKeyMUHIGGOAJBPULA-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.35
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

N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
5-iodo-2-(methylcarbamoylamino)benzoic acid
CID 63111629
N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide
CID 90975910
N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836927
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135
1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea
CID 119026718
1-(4-ethyl-2-methylphenyl)-3-methylurea
CID 23348894
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
N-(4-iodo-2-methylphenyl)prop-2-enamide
CID 43425771
1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea
CID 108895747
2-hydroxy-5-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 86251688
1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903190

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodo-2-methylphenyl)-3-methylurea?
The IUPAC name of 1-(4-iodo-2-methylphenyl)-3-methylurea (CID 47127604) is 1-(4-iodo-2-methylphenyl)-3-methylurea.
What is the SMILES notation for 1-(4-iodo-2-methylphenyl)-3-methylurea?
The canonical SMILES for 1-(4-iodo-2-methylphenyl)-3-methylurea is CNC(=O)Nc1ccc(I)cc1C.
What is the InChIKey of 1-(4-iodo-2-methylphenyl)-3-methylurea?
The InChIKey is MUHIGGOAJBPULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O/c1-6-5-7(10)3-4-8(6)12-9(13)11-2/h3-5H,1-2H3,(H2,11,12,13).
What are the key properties of 1-(4-iodo-2-methylphenyl)-3-methylurea?
1-(4-iodo-2-methylphenyl)-3-methylurea has a molecular weight of 290.10 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-2-methylphenyl)-3-methylurea is sourced from PubChem (CID 47127604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).