1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea

C22H19F3N2O2 — CID 74225420

IUPAC1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H19F3N2O2/c23-22(24,25)17-8-6-7-16(15-17)13-14-26-21(28)27-19-11-4-5-12-20(19)29-18-9-2-1-3-10-18/h1-12,15H,13-14H2,(H2,26,27,28)
InChIKeyBKDKBSAEERRUDF-UHFFFAOYSA-N
MW400.40 g/mol
LogP5.86
Rot. Bonds6

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

1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 74225420) has the molecular formula C22H19F3N2O2 and a molecular weight of 400.40 g/mol. Its IUPAC name is 1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID74225420
Molecular FormulaC22H19F3N2O2
Molecular Weight400.40 g/mol
Exact Mass400.14
IUPAC Name1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H19F3N2O2/c23-22(24,25)17-8-6-7-16(15-17)13-14-26-21(28)27-19-11-4-5-12-20(19)29-18-9-2-1-3-10-18/h1-12,15H,13-14H2,(H2,26,27,28)
InChIKeyBKDKBSAEERRUDF-UHFFFAOYSA-N
XLogP5.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.40
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea
CID 52593578
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea
CID 3763327
1-(5-chloro-2-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 3841185
1-[(E)-2-phenylethenyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 121264659
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054
1-[2-(3-fluorophenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108901125
1-[2-(3-methoxyphenyl)ethyl]-3-(2-sulfanylphenyl)urea
CID 108886567
1-(3-methylsulfanylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 3863786
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea
CID 22282753
1-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 89266013
1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
CID 17283504

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea (CID 74225420) is 1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea is O=C(NCCc1cccc(C(F)(F)F)c1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is BKDKBSAEERRUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O2/c23-22(24,25)17-8-6-7-16(15-17)13-14-26-21(28)27-19-11-4-5-12-20(19)29-18-9-2-1-3-10-18/h1-12,15H,13-14H2,(H2,26,27,28).
What are the key properties of 1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 400.40 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 74225420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).