1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea

C22H25F4N3O2 — CID 60592666

IUPAC1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)NCC(c1cccc(F)c1)N1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H25F4N3O2/c1-15(16-4-2-6-18(12-16)22(24,25)26)28-21(30)27-14-20(29-8-10-31-11-9-29)17-5-3-7-19(23)13-17/h2-7,12-13,15,20H,8-11,14H2,1H3,(H2,27,28,30)
InChIKeyOXTAZEYARYFQRH-UHFFFAOYSA-N
MW439.45 g/mol
LogP4.28
Rot. Bonds6

About 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea

1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 60592666) has the molecular formula C22H25F4N3O2 and a molecular weight of 439.45 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID60592666
Molecular FormulaC22H25F4N3O2
Molecular Weight439.45 g/mol
Exact Mass439.19
IUPAC Name1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)NCC(c1cccc(F)c1)N1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H25F4N3O2/c1-15(16-4-2-6-18(12-16)22(24,25)26)28-21(30)27-14-20(29-8-10-31-11-9-29)17-5-3-7-19(23)13-17/h2-7,12-13,15,20H,8-11,14H2,1H3,(H2,27,28,30)
InChIKeyOXTAZEYARYFQRH-UHFFFAOYSA-N
XLogP4.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 60592531
1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
CID 51934988
1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea
CID 99702436
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea
CID 60592399
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 60592573
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methylphenyl)methyl]urea
CID 60592552
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8504243
2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol
CID 54775900
(2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide
CID 120634306
N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 94211212
1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865951
1-butan-2-yl-3-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylguanidine
CID 110943878

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea (CID 60592666) is 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea is CC(NC(=O)NCC(c1cccc(F)c1)N1CCOCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is OXTAZEYARYFQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F4N3O2/c1-15(16-4-2-6-18(12-16)22(24,25)26)28-21(30)27-14-20(29-8-10-31-11-9-29)17-5-3-7-19(23)13-17/h2-7,12-13,15,20H,8-11,14H2,1H3,(H2,27,28,30).
What are the key properties of 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 439.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 60592666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).