1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea

C21H16F4N2O2 — CID 3763327

IUPAC1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea
SMILESO=C(NCc1ccc(C(F)(F)F)cc1F)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H16F4N2O2/c22-17-12-15(21(23,24)25)11-10-14(17)13-26-20(28)27-18-8-4-5-9-19(18)29-16-6-2-1-3-7-16/h1-12H,13H2,(H2,26,27,28)
InChIKeyFUZULEYPQSDBGX-UHFFFAOYSA-N
MW404.36 g/mol
LogP5.96
Rot. Bonds5

About 1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea

1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea (PubChem CID 3763327) has the molecular formula C21H16F4N2O2 and a molecular weight of 404.36 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea
PubChem CID3763327
Molecular FormulaC21H16F4N2O2
Molecular Weight404.36 g/mol
Exact Mass404.11
IUPAC Name1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea
SMILESO=C(NCc1ccc(C(F)(F)F)cc1F)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H16F4N2O2/c22-17-12-15(21(23,24)25)11-10-14(17)13-26-20(28)27-18-8-4-5-9-19(18)29-16-6-2-1-3-7-16/h1-12H,13H2,(H2,26,27,28)
InChIKeyFUZULEYPQSDBGX-UHFFFAOYSA-N
XLogP5.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.36
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 108988918
1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 74225420
1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3704800
1-(2,5-dimethylphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3687808
1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 52595761
1-(3,5-dimethylphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3687858
4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide
CID 126669544
2-[(2-fluorophenyl)methylamino]-N-(2-phenoxyphenyl)acetamide
CID 108997601
1-(2,4-difluorophenyl)-3-(2-phenoxyphenyl)urea
CID 108992692
1-(2,6-dichloro-4-pyridinyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3692964
1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679

Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea?
The IUPAC name of 1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea (CID 3763327) is 1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea.
What is the SMILES notation for 1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea?
The canonical SMILES for 1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea is O=C(NCc1ccc(C(F)(F)F)cc1F)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea?
The InChIKey is FUZULEYPQSDBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O2/c22-17-12-15(21(23,24)25)11-10-14(17)13-26-20(28)27-18-8-4-5-9-19(18)29-16-6-2-1-3-7-16/h1-12H,13H2,(H2,26,27,28).
What are the key properties of 1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea?
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea has a molecular weight of 404.36 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea is sourced from PubChem (CID 3763327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).