1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea

C14H12ClIN2O — CID 108868918

IUPAC1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea
SMILESCc1ccc(Cl)cc1NC(=O)Nc1ccccc1I
InChIInChI=1S/C14H12ClIN2O/c1-9-6-7-10(15)8-13(9)18-14(19)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H2,17,18,19)
InChIKeyLZVXHCANNZGRJS-UHFFFAOYSA-N
MW386.62 g/mol
LogP4.90
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea

1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea (PubChem CID 108868918) has the molecular formula C14H12ClIN2O and a molecular weight of 386.62 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea
PubChem CID108868918
Molecular FormulaC14H12ClIN2O
Molecular Weight386.62 g/mol
Exact Mass385.97
IUPAC Name1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea
SMILESCc1ccc(Cl)cc1NC(=O)Nc1ccccc1I
InChIInChI=1S/C14H12ClIN2O/c1-9-6-7-10(15)8-13(9)18-14(19)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H2,17,18,19)
InChIKeyLZVXHCANNZGRJS-UHFFFAOYSA-N
XLogP4.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 54.90
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-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
CID 108991775
1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea
CID 17180173
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892469
1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)urea
CID 108868402
1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea
CID 108869034
N-(5-chloro-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 8624306
1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea
CID 47081845
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-iodobenzoate
CID 71823697
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea (CID 108868918) is 1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea is Cc1ccc(Cl)cc1NC(=O)Nc1ccccc1I.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea?
The InChIKey is LZVXHCANNZGRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2O/c1-9-6-7-10(15)8-13(9)18-14(19)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea?
1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea has a molecular weight of 386.62 g/mol, XLogP of 4.90, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea is sourced from PubChem (CID 108868918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).