1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea

C17H19FN2O — CID 86916303

IUPAC1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C17H19FN2O/c1-13-6-3-4-8-15(13)11-19-17(21)20(2)12-14-7-5-9-16(18)10-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyGSYVJNNEXKTPLI-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.48
Rot. Bonds4

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

1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea (PubChem CID 86916303) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea
PubChem CID86916303
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C17H19FN2O/c1-13-6-3-4-8-15(13)11-19-17(21)20(2)12-14-7-5-9-16(18)10-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyGSYVJNNEXKTPLI-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
1-[(3-fluorophenyl)methyl]-1-methyl-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 35671432
3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78891504
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61376480
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904
3-[(2-ethoxy-4-pyridinyl)methyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78889802
3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea
CID 53185039
2-fluoro-N-[(3-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 79770083
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide
CID 43328957
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986587

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea (CID 86916303) is 1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea is Cc1ccccc1CNC(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea?
The InChIKey is GSYVJNNEXKTPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-13-6-3-4-8-15(13)11-19-17(21)20(2)12-14-7-5-9-16(18)10-14/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea?
1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea has a molecular weight of 286.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 86916303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).