1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea

C14H10F3IN2O — CID 61400274

IUPAC1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(I)c1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3IN2O/c15-14(16,17)11-6-1-2-7-12(11)20-13(21)19-10-5-3-4-9(18)8-10/h1-8H,(H2,19,20,21)
InChIKeyJCFGMVUHDQFBKV-UHFFFAOYSA-N
MW406.15 g/mol
LogP4.95
Rot. Bonds2

About 1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea

1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 61400274) has the molecular formula C14H10F3IN2O and a molecular weight of 406.15 g/mol. Its IUPAC name is 1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID61400274
Molecular FormulaC14H10F3IN2O
Molecular Weight406.15 g/mol
Exact Mass405.98
IUPAC Name1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(I)c1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3IN2O/c15-14(16,17)11-6-1-2-7-12(11)20-13(21)19-10-5-3-4-9(18)8-10/h1-8H,(H2,19,20,21)
InChIKeyJCFGMVUHDQFBKV-UHFFFAOYSA-N
XLogP4.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.15
LogP ≤ 54.95
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

[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl] acetate
CID 108865068
1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859814
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea
CID 47103689
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
3-[(3-iodophenyl)carbamoylamino]benzoic acid
CID 61193019
1-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 71062758
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea
CID 3408863
N-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 121454119
N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000476

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea (CID 61400274) is 1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(I)c1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is JCFGMVUHDQFBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3IN2O/c15-14(16,17)11-6-1-2-7-12(11)20-13(21)19-10-5-3-4-9(18)8-10/h1-8H,(H2,19,20,21).
What are the key properties of 1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 406.15 g/mol, XLogP of 4.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 61400274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).