3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea

C16H18F2N2O — CID 71925562

IUPAC3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea
SMILESCN(CCc1cccc2ccccc12)C(=O)NCC(F)F
InChIInChI=1S/C16H18F2N2O/c1-20(16(21)19-11-15(17)18)10-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15H,9-11H2,1H3,(H,19,21)
InChIKeyAUJGHVHORGHXOO-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.29
Rot. Bonds5

About 3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea

3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea (PubChem CID 71925562) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea
PubChem CID71925562
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea
SMILESCN(CCc1cccc2ccccc12)C(=O)NCC(F)F
InChIInChI=1S/C16H18F2N2O/c1-20(16(21)19-11-15(17)18)10-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15H,9-11H2,1H3,(H,19,21)
InChIKeyAUJGHVHORGHXOO-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea
CID 71934381
(2R)-2-amino-N-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 119309086
2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid
CID 122099616
3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide
CID 119758698
(2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide
CID 94821471
4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024923
2-amino-N-methyl-N-(2-naphthalen-1-ylethyl)pentanamide
CID 119309088
1-amino-N-methyl-N-(2-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 115190049
2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
CID 129196216
3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea
CID 95334652
N-[2-(dimethylamino)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 18917772
N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide
CID 60619049

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea?
The IUPAC name of 3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea (CID 71925562) is 3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea.
What is the SMILES notation for 3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea?
The canonical SMILES for 3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea is CN(CCc1cccc2ccccc12)C(=O)NCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea?
The InChIKey is AUJGHVHORGHXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-20(16(21)19-11-15(17)18)10-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15H,9-11H2,1H3,(H,19,21).
What are the key properties of 3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea?
3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea has a molecular weight of 292.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea is sourced from PubChem (CID 71925562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).