1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea

C16H23FN2O2 — CID 129471423

IUPAC1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea
SMILESC[C@H]1C[C@H](CNC(=O)NCCc2cccc(F)c2)CCO1
InChIInChI=1S/C16H23FN2O2/c1-12-9-14(6-8-21-12)11-19-16(20)18-7-5-13-3-2-4-15(17)10-13/h2-4,10,12,14H,5-9,11H2,1H3,(H2,18,19,20)/t12-,14+/m0/s1
InChIKeyVSBFYBFCSJSYDB-GXTWGEPZSA-N
MW294.37 g/mol
LogP2.48
Rot. Bonds5

About 1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea

1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea (PubChem CID 129471423) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea
PubChem CID129471423
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea
SMILESC[C@H]1C[C@H](CNC(=O)NCCc2cccc(F)c2)CCO1
InChIInChI=1S/C16H23FN2O2/c1-12-9-14(6-8-21-12)11-19-16(20)18-7-5-13-3-2-4-15(17)10-13/h2-4,10,12,14H,5-9,11H2,1H3,(H2,18,19,20)/t12-,14+/m0/s1
InChIKeyVSBFYBFCSJSYDB-GXTWGEPZSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea
CID 125136345
1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea
CID 99717246
3-[2-[[(2R,6R)-2,6-dimethyloxan-4-yl]methylcarbamoylamino]ethyl]-N-methylbenzamide
CID 100685901
1-[2-(3-fluorophenyl)ethyl]-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
CID 48964473
(2S,4S)-N-[2-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618703
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 60868325
1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47481358
3-[2-[[(2S,4S)-2-methyloxane-4-carbonyl]amino]ethyl]benzoic acid
CID 129468722
2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736416
2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 61201728
1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 108901254
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea (CID 129471423) is 1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea is C[C@H]1C[C@H](CNC(=O)NCCc2cccc(F)c2)CCO1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea?
The InChIKey is VSBFYBFCSJSYDB-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12-9-14(6-8-21-12)11-19-16(20)18-7-5-13-3-2-4-15(17)10-13/h2-4,10,12,14H,5-9,11H2,1H3,(H2,18,19,20)/t12-,14+/m0/s1.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea?
1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea has a molecular weight of 294.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea is sourced from PubChem (CID 129471423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).