1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea

C17H24FN3O2 — CID 99702436

IUPAC1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea
SMILESC=C(C)CNC(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C17H24FN3O2/c1-13(2)11-19-17(22)20-12-16(21-6-8-23-9-7-21)14-4-3-5-15(18)10-14/h3-5,10,16H,1,6-9,11-12H2,2H3,(H2,19,20,22)/t16-/m0/s1
InChIKeyHHAKASGUJSXFBI-INIZCTEOSA-N
MW321.40 g/mol
LogP2.07
Rot. Bonds6

About 1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea

1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea (PubChem CID 99702436) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea
PubChem CID99702436
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea
SMILESC=C(C)CNC(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C17H24FN3O2/c1-13(2)11-19-17(22)20-12-16(21-6-8-23-9-7-21)14-4-3-5-15(18)10-14/h3-5,10,16H,1,6-9,11-12H2,2H3,(H2,19,20,22)/t16-/m0/s1
InChIKeyHHAKASGUJSXFBI-INIZCTEOSA-N
XLogP2.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea
CID 60592399
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methylphenyl)methyl]urea
CID 60592552
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51126717
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-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 60592666
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide
CID 119865964
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 47081662
3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 94815665
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 60592573
4-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methoxybutanamide
CID 120596042
1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 110304148

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea?
The IUPAC name of 1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea (CID 99702436) is 1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea.
What is the SMILES notation for 1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea?
The canonical SMILES for 1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea is C=C(C)CNC(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1.
What is the InChIKey of 1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea?
The InChIKey is HHAKASGUJSXFBI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-13(2)11-19-17(22)20-12-16(21-6-8-23-9-7-21)14-4-3-5-15(18)10-14/h3-5,10,16H,1,6-9,11-12H2,2H3,(H2,19,20,22)/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea?
1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea has a molecular weight of 321.40 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea is sourced from PubChem (CID 99702436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).