1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)urea

C20H24FN3O2 — CID 18589043

IUPAC1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c1
InChIInChI=1S/C20H24FN3O2/c1-15-3-2-4-18(13-15)23-20(25)22-14-19(24-9-11-26-12-10-24)16-5-7-17(21)8-6-16/h2-8,13,19H,9-12,14H2,1H3,(H2,22,23,25)
InChIKeyBEUMLSZXIPMLAE-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.33
Rot. Bonds5

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

1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)urea (PubChem CID 18589043) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)urea
PubChem CID18589043
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c1
InChIInChI=1S/C20H24FN3O2/c1-15-3-2-4-18(13-15)23-20(25)22-14-19(24-9-11-26-12-10-24)16-5-7-17(21)8-6-16/h2-8,13,19H,9-12,14H2,1H3,(H2,22,23,25)
InChIKeyBEUMLSZXIPMLAE-UHFFFAOYSA-N
XLogP3.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)urea (CID 18589043) is 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)urea?
The InChIKey is BEUMLSZXIPMLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-15-3-2-4-18(13-15)23-20(25)22-14-19(24-9-11-26-12-10-24)16-5-7-17(21)8-6-16/h2-8,13,19H,9-12,14H2,1H3,(H2,22,23,25).
What are the key properties of 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)urea?
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)urea has a molecular weight of 357.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 18589043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).