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

C21H26FN3O2 — CID 60592399

IUPAC1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCC(c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C21H26FN3O2/c22-19-8-4-7-18(15-19)20(25-11-13-27-14-12-25)16-24-21(26)23-10-9-17-5-2-1-3-6-17/h1-8,15,20H,9-14,16H2,(H2,23,24,26)
InChIKeyCJUBGWXCVCBXNS-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.74
Rot. Bonds7

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

1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea (PubChem CID 60592399) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea
PubChem CID60592399
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCC(c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C21H26FN3O2/c22-19-8-4-7-18(15-19)20(25-11-13-27-14-12-25)16-24-21(26)23-10-9-17-5-2-1-3-6-17/h1-8,15,20H,9-14,16H2,(H2,23,24,26)
InChIKeyCJUBGWXCVCBXNS-UHFFFAOYSA-N
XLogP2.74
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-3-[(2R)-2-morpholin-4-yl-2-phenylethyl]urea
CID 51934907
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-methylphenyl)methyl]urea
CID 60592552
1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 42928186
1-[2-(4-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylguanidine
CID 111230443
1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890407
1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865951
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide
CID 119865964
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51126717
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 47081662
3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride
CID 120612741
(2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide
CID 120634306

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea (CID 60592399) is 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NCC(c1cccc(F)c1)N1CCOCC1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea?
The InChIKey is CJUBGWXCVCBXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c22-19-8-4-7-18(15-19)20(25-11-13-27-14-12-25)16-24-21(26)23-10-9-17-5-2-1-3-6-17/h1-8,15,20H,9-14,16H2,(H2,23,24,26).
What are the key properties of 1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea?
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea has a molecular weight of 371.46 g/mol, XLogP of 2.74, 7 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-(2-phenylethyl)urea is sourced from PubChem (CID 60592399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).