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

C17H25FN2O2 — CID 129471572

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-[2-[(2R,4S)-2-methyloxan-4-yl]ethyl]urea
SMILESC[C@@H]1C[C@@H](CCNC(=O)NCCc2ccccc2F)CCO1
InChIInChI=1S/C17H25FN2O2/c1-13-12-14(8-11-22-13)6-9-19-17(21)20-10-7-15-4-2-3-5-16(15)18/h2-5,13-14H,6-12H2,1H3,(H2,19,20,21)/t13-,14+/m1/s1
InChIKeyJRTRISKLSSEPES-KGLIPLIRSA-N
MW308.40 g/mol
LogP2.87
Rot. Bonds6

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

1-[2-(2-fluorophenyl)ethyl]-3-[2-[(2R,4S)-2-methyloxan-4-yl]ethyl]urea (PubChem CID 129471572) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-[2-[(2R,4S)-2-methyloxan-4-yl]ethyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-[2-[(2R,4S)-2-methyloxan-4-yl]ethyl]urea
PubChem CID129471572
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-[2-[(2R,4S)-2-methyloxan-4-yl]ethyl]urea
SMILESC[C@@H]1C[C@@H](CCNC(=O)NCCc2ccccc2F)CCO1
InChIInChI=1S/C17H25FN2O2/c1-13-12-14(8-11-22-13)6-9-19-17(21)20-10-7-15-4-2-3-5-16(15)18/h2-5,13-14H,6-12H2,1H3,(H2,19,20,21)/t13-,14+/m1/s1
InChIKeyJRTRISKLSSEPES-KGLIPLIRSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[2-[(2R,4S)-2-methyloxan-4-yl]ethyl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[2-[(2R,4S)-2-methyloxan-4-yl]ethyl]urea (CID 129471572) is 1-[2-(2-fluorophenyl)ethyl]-3-[2-[(2R,4S)-2-methyloxan-4-yl]ethyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-[2-[(2R,4S)-2-methyloxan-4-yl]ethyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-[2-[(2R,4S)-2-methyloxan-4-yl]ethyl]urea is C[C@@H]1C[C@@H](CCNC(=O)NCCc2ccccc2F)CCO1.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-[2-[(2R,4S)-2-methyloxan-4-yl]ethyl]urea?
The InChIKey is JRTRISKLSSEPES-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-13-12-14(8-11-22-13)6-9-19-17(21)20-10-7-15-4-2-3-5-16(15)18/h2-5,13-14H,6-12H2,1H3,(H2,19,20,21)/t13-,14+/m1/s1.
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-[2-[(2R,4S)-2-methyloxan-4-yl]ethyl]urea?
1-[2-(2-fluorophenyl)ethyl]-3-[2-[(2R,4S)-2-methyloxan-4-yl]ethyl]urea has a molecular weight of 308.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-[2-[(2R,4S)-2-methyloxan-4-yl]ethyl]urea is sourced from PubChem (CID 129471572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).