1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea

C13H18FN3O2 — CID 1086740

IUPAC1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)Nc1ccc(F)cc1
InChIInChI=1S/C13H18FN3O2/c14-11-1-3-12(4-2-11)16-13(18)15-5-6-17-7-9-19-10-8-17/h1-4H,5-10H2,(H2,15,16,18)
InChIKeyAXKMVCYHZPBIPZ-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.28
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea

1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 1086740) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID1086740
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)Nc1ccc(F)cc1
InChIInChI=1S/C13H18FN3O2/c14-11-1-3-12(4-2-11)16-13(18)15-5-6-17-7-9-19-10-8-17/h1-4H,5-10H2,(H2,15,16,18)
InChIKeyAXKMVCYHZPBIPZ-UHFFFAOYSA-N
XLogP1.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea (CID 1086740) is 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea is O=C(NCCN1CCOCC1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is AXKMVCYHZPBIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c14-11-1-3-12(4-2-11)16-13(18)15-5-6-17-7-9-19-10-8-17/h1-4H,5-10H2,(H2,15,16,18).
What are the key properties of 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea?
1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 267.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 1086740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).