1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea

C9H7ClF3IN2O — CID 113224209

IUPAC1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1ccc(I)cc1Cl
InChIInChI=1S/C9H7ClF3IN2O/c10-6-3-5(14)1-2-7(6)16-8(17)15-4-9(11,12)13/h1-3H,4H2,(H2,15,16,17)
InChIKeyZUXXDENVZQODCM-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.63
Rot. Bonds2

About 1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea

1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 113224209) has the molecular formula C9H7ClF3IN2O and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID113224209
Molecular FormulaC9H7ClF3IN2O
Molecular Weight378.52 g/mol
Exact Mass377.92
IUPAC Name1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1ccc(I)cc1Cl
InChIInChI=1S/C9H7ClF3IN2O/c10-6-3-5(14)1-2-7(6)16-8(17)15-4-9(11,12)13/h1-3H,4H2,(H2,15,16,17)
InChIKeyZUXXDENVZQODCM-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.63
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-(4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47252527
1-amino-3-(2-chloro-4-iodophenyl)urea
CID 107605938
1-(2-chloro-4-iodophenyl)-3-(2-sulfamoylethyl)urea
CID 112837932
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115584044
2-chloro-N-(2-chloro-4-iodophenyl)acetamide
CID 43701527
1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea
CID 47202224
methyl 6-[(2-chloro-4-iodophenyl)carbamoylamino]hexanoate
CID 78890631
1-(2-chloro-5-nitrophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 116655175
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113457028
1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113463001
(2R)-2-[(2-chloro-4-iodophenyl)carbamoylamino]butanedioic acid
CID 107605873

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea (CID 113224209) is 1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1ccc(I)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is ZUXXDENVZQODCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3IN2O/c10-6-3-5(14)1-2-7(6)16-8(17)15-4-9(11,12)13/h1-3H,4H2,(H2,15,16,17).
What are the key properties of 1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 378.52 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 113224209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).