3-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea

C16H13F5N2O2 — CID 46457495

IUPAC3-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13F5N2O2/c1-23(15(24)22-13-7-6-11(17)8-12(13)18)9-10-4-2-3-5-14(10)25-16(19,20)21/h2-8H,9H2,1H3,(H,22,24)
InChIKeyKVGAVMRBIQOKAQ-UHFFFAOYSA-N
MW360.28 g/mol
LogP4.53
Rot. Bonds4

About 3-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea

3-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea (PubChem CID 46457495) has the molecular formula C16H13F5N2O2 and a molecular weight of 360.28 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea
PubChem CID46457495
Molecular FormulaC16H13F5N2O2
Molecular Weight360.28 g/mol
Exact Mass360.09
IUPAC Name3-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13F5N2O2/c1-23(15(24)22-13-7-6-11(17)8-12(13)18)9-10-4-2-3-5-14(10)25-16(19,20)21/h2-8H,9H2,1H3,(H,22,24)
InChIKeyKVGAVMRBIQOKAQ-UHFFFAOYSA-N
XLogP4.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea
CID 24664813
3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119278533
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119278540
4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119278553
4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 55939528
3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 86984485
1-(3-amino-2-methylpropyl)-3-(2,4-difluorophenyl)-1-methylurea
CID 54992200
7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide
CID 55608409
3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52560868
1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(trifluoromethoxy)phenyl]urea
CID 86988095

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea (CID 46457495) is 3-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea is CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The InChIKey is KVGAVMRBIQOKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N2O2/c1-23(15(24)22-13-7-6-11(17)8-12(13)18)9-10-4-2-3-5-14(10)25-16(19,20)21/h2-8H,9H2,1H3,(H,22,24).
What are the key properties of 3-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea?
3-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea has a molecular weight of 360.28 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 46457495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).