1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea

C17H16F4N2O — CID 51274161

IUPAC1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESCN(Cc1ccc(F)cc1)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F4N2O/c1-23(11-12-5-7-15(18)8-6-12)16(24)22-10-13-3-2-4-14(9-13)17(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyRJTWOAXUYOCIBF-UHFFFAOYSA-N
MW340.32 g/mol
LogP4.19
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea

1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 51274161) has the molecular formula C17H16F4N2O and a molecular weight of 340.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
PubChem CID51274161
Molecular FormulaC17H16F4N2O
Molecular Weight340.32 g/mol
Exact Mass340.12
IUPAC Name1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESCN(Cc1ccc(F)cc1)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F4N2O/c1-23(11-12-5-7-15(18)8-6-12)16(24)22-10-13-3-2-4-14(9-13)17(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyRJTWOAXUYOCIBF-UHFFFAOYSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 33253657
3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 86874108
1-[[4-(dimethylamino)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 38949105
3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 86970017
3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78891504
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-benzyl-N-methyl-3-[[N'-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]propanamide
CID 111267971
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113175132
3-[(3-fluorophenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 55007271
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 142821645
1-methyl-1-(3-methylcyclohexyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 112831729

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea (CID 51274161) is 1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea is CN(Cc1ccc(F)cc1)C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is RJTWOAXUYOCIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O/c1-23(11-12-5-7-15(18)8-6-12)16(24)22-10-13-3-2-4-14(9-13)17(19,20)21/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 340.32 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 51274161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).