1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea

C17H26FN3O2 — CID 71856970

IUPAC1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea
SMILESCc1cc(F)ccc1CCNC(=O)NCC(C)N1CCOCC1
InChIInChI=1S/C17H26FN3O2/c1-13-11-16(18)4-3-15(13)5-6-19-17(22)20-12-14(2)21-7-9-23-10-8-21/h3-4,11,14H,5-10,12H2,1-2H3,(H2,19,20,22)
InChIKeyMSTVGGMVMHWTRV-UHFFFAOYSA-N
MW323.41 g/mol
LogP1.70
Rot. Bonds6

About 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea

1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea (PubChem CID 71856970) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea
PubChem CID71856970
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Name1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea
SMILESCc1cc(F)ccc1CCNC(=O)NCC(C)N1CCOCC1
InChIInChI=1S/C17H26FN3O2/c1-13-11-16(18)4-3-15(13)5-6-19-17(22)20-12-14(2)21-7-9-23-10-8-21/h3-4,11,14H,5-10,12H2,1-2H3,(H2,19,20,22)
InChIKeyMSTVGGMVMHWTRV-UHFFFAOYSA-N
XLogP1.70
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea (CID 71856970) is 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea is Cc1cc(F)ccc1CCNC(=O)NCC(C)N1CCOCC1.
What is the InChIKey of 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea?
The InChIKey is MSTVGGMVMHWTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-13-11-16(18)4-3-15(13)5-6-19-17(22)20-12-14(2)21-7-9-23-10-8-21/h3-4,11,14H,5-10,12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea?
1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea has a molecular weight of 323.41 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 71856970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).