1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea

C21H21FN2O — CID 59012228

IUPAC1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea
SMILESO=C(NCCF)NC(Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H21FN2O/c22-13-14-23-21(25)24-20(15-16-7-2-1-3-8-16)19-12-6-10-17-9-4-5-11-18(17)19/h1-12,20H,13-15H2,(H2,23,24,25)
InChIKeyLLSKIQNWIKHKKK-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.39
Rot. Bonds6

About 1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea

1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea (PubChem CID 59012228) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea
PubChem CID59012228
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea
SMILESO=C(NCCF)NC(Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H21FN2O/c22-13-14-23-21(25)24-20(15-16-7-2-1-3-8-16)19-12-6-10-17-9-4-5-11-18(17)19/h1-12,20H,13-15H2,(H2,23,24,25)
InChIKeyLLSKIQNWIKHKKK-UHFFFAOYSA-N
XLogP4.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea
CID 59012208
2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride
CID 54608356
methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate
CID 140505249
1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea
CID 90524671
1-(1-cyclohexyl-2-phenylethyl)-3-(2-fluoroethyl)urea;molecular hydrogen
CID 143584718
2-naphthalen-1-yl-3-phenylpropanamide
CID 141457606
2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide
CID 75581237
1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea
CID 95367329
N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide
CID 23140892
1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea
CID 59012224
3-naphthalen-1-yl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 3764471
2-(4-fluorophenyl)-N-methyl-1-naphthalen-1-ylethanamine
CID 61065371

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea (CID 59012228) is 1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea is O=C(NCCF)NC(Cc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea?
The InChIKey is LLSKIQNWIKHKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c22-13-14-23-21(25)24-20(15-16-7-2-1-3-8-16)19-12-6-10-17-9-4-5-11-18(17)19/h1-12,20H,13-15H2,(H2,23,24,25).
What are the key properties of 1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea?
1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea has a molecular weight of 336.41 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea is sourced from PubChem (CID 59012228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).