1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea

C15H12F4N2O2 — CID 52595761

IUPAC1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
SMILESO=C(NCc1ccccc1F)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H12F4N2O2/c16-11-6-2-1-5-10(11)9-20-14(22)21-12-7-3-4-8-13(12)23-15(17,18)19/h1-8H,9H2,(H2,20,21,22)
InChIKeyOMJXDTPWYQGLEY-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.05
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea

1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea (PubChem CID 52595761) has the molecular formula C15H12F4N2O2 and a molecular weight of 328.27 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
PubChem CID52595761
Molecular FormulaC15H12F4N2O2
Molecular Weight328.27 g/mol
Exact Mass328.08
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
SMILESO=C(NCc1ccccc1F)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H12F4N2O2/c16-11-6-2-1-5-10(11)9-20-14(22)21-12-7-3-4-8-13(12)23-15(17,18)19/h1-8H,9H2,(H2,20,21,22)
InChIKeyOMJXDTPWYQGLEY-UHFFFAOYSA-N
XLogP4.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 4995803
1-[(5-fluoro-2-methylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3594769
1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3859950
1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 108988918
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3728140
4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]butanoic acid
CID 61185657
1-(5-chloro-2-methylphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 74229487
1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 111431252
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea
CID 3763327
N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 31068795
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34553843

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea (CID 52595761) is 1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea is O=C(NCc1ccccc1F)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The InChIKey is OMJXDTPWYQGLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O2/c16-11-6-2-1-5-10(11)9-20-14(22)21-12-7-3-4-8-13(12)23-15(17,18)19/h1-8H,9H2,(H2,20,21,22).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea has a molecular weight of 328.27 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 52595761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).