1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea

C16H15F3N2O — CID 108892439

IUPAC1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea
SMILESCC(C)c1ccccc1NC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H15F3N2O/c1-9(2)10-5-3-4-6-12(10)20-16(22)21-13-8-7-11(17)14(18)15(13)19/h3-9H,1-2H3,(H2,20,21,22)
InChIKeyLYBHOFJCMBRORJ-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.87
Rot. Bonds3

About 1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea

1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea (PubChem CID 108892439) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea
PubChem CID108892439
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea
SMILESCC(C)c1ccccc1NC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H15F3N2O/c1-9(2)10-5-3-4-6-12(10)20-16(22)21-13-8-7-11(17)14(18)15(13)19/h3-9H,1-2H3,(H2,20,21,22)
InChIKeyLYBHOFJCMBRORJ-UHFFFAOYSA-N
XLogP4.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea
CID 47173418
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 22301794
1-(2-propan-2-ylphenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871682
(2S)-2-[(2,3,4-trifluorophenyl)carbamoylamino]propanoic acid
CID 28508673
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
1-(3-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892437
1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 12060189
(2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 7793139
1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108867200
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 47032089

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea (CID 108892439) is 1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea is CC(C)c1ccccc1NC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is LYBHOFJCMBRORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-9(2)10-5-3-4-6-12(10)20-16(22)21-13-8-7-11(17)14(18)15(13)19/h3-9H,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea?
1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 308.30 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 108892439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).