1-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea

C20H15F3N2O2 — CID 108992623

IUPAC1-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H15F3N2O2/c21-16-10-11-17(19(23)18(16)22)25-20(26)24-14-6-8-15(9-7-14)27-12-13-4-2-1-3-5-13/h1-11H,12H2,(H2,24,25,26)
InChIKeyLHNIYHUQPCLUSC-UHFFFAOYSA-N
MW372.35 g/mol
LogP5.33
Rot. Bonds5

About 1-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea

1-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea (PubChem CID 108992623) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea
PubChem CID108992623
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name1-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H15F3N2O2/c21-16-10-11-17(19(23)18(16)22)25-20(26)24-14-6-8-15(9-7-14)27-12-13-4-2-1-3-5-13/h1-11H,12H2,(H2,24,25,26)
InChIKeyLHNIYHUQPCLUSC-UHFFFAOYSA-N
XLogP5.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.35
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108867200
1-(4-phenylmethoxyphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992099
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea
CID 108992618
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
2-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 109010754
1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
CID 112969756
N-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108514530
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2,6-difluorobenzoate
CID 7725700
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109042006
3-(4-phenylmethoxyanilino)but-2-enoic acid
CID 154014909

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea (CID 108992623) is 1-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea is O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is LHNIYHUQPCLUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c21-16-10-11-17(19(23)18(16)22)25-20(26)24-14-6-8-15(9-7-14)27-12-13-4-2-1-3-5-13/h1-11H,12H2,(H2,24,25,26).
What are the key properties of 1-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea?
1-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 372.35 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 108992623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).