[2-(3-fluoromorpholin-4-yl)phenyl] N-benzylcarbamate

C18H19FN2O3 — CID 175399765

IUPAC[2-(3-fluoromorpholin-4-yl)phenyl] N-benzylcarbamate
SMILESO=C(NCc1ccccc1)Oc1ccccc1N1CCOCC1F
InChIInChI=1S/C18H19FN2O3/c19-17-13-23-11-10-21(17)15-8-4-5-9-16(15)24-18(22)20-12-14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H,20,22)
InChIKeyVSYMPTWTCYJISC-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.11
Rot. Bonds4

About [2-(3-fluoromorpholin-4-yl)phenyl] N-benzylcarbamate

[2-(3-fluoromorpholin-4-yl)phenyl] N-benzylcarbamate (PubChem CID 175399765) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is [2-(3-fluoromorpholin-4-yl)phenyl] N-benzylcarbamate.

Molecular Properties

Compound Name[2-(3-fluoromorpholin-4-yl)phenyl] N-benzylcarbamate
PubChem CID175399765
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name[2-(3-fluoromorpholin-4-yl)phenyl] N-benzylcarbamate
SMILESO=C(NCc1ccccc1)Oc1ccccc1N1CCOCC1F
InChIInChI=1S/C18H19FN2O3/c19-17-13-23-11-10-21(17)15-8-4-5-9-16(15)24-18(22)20-12-14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H,20,22)
InChIKeyVSYMPTWTCYJISC-UHFFFAOYSA-N
XLogP3.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(4-phenylphenyl) N-benzylcarbamate
CID 25174478
[(3S,4S)-3-(hydroxymethyl)oxan-4-yl] N-benzylcarbamate
CID 70818689
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848
2-(3-fluoromorpholin-4-yl)benzoyl azide
CID 174687250
(4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate
CID 68577471
(4-benzylmorpholin-3-yl)methylcarbamic acid
CID 21104643
1-benzyl-3-morpholin-4-ylurea
CID 107653208
(1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate
CID 140532876
(2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate
CID 177145440
5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 175215345
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate
CID 144638928
N-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide
CID 134252878

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoromorpholin-4-yl)phenyl] N-benzylcarbamate?
The IUPAC name of [2-(3-fluoromorpholin-4-yl)phenyl] N-benzylcarbamate (CID 175399765) is [2-(3-fluoromorpholin-4-yl)phenyl] N-benzylcarbamate.
What is the SMILES notation for [2-(3-fluoromorpholin-4-yl)phenyl] N-benzylcarbamate?
The canonical SMILES for [2-(3-fluoromorpholin-4-yl)phenyl] N-benzylcarbamate is O=C(NCc1ccccc1)Oc1ccccc1N1CCOCC1F.
What is the InChIKey of [2-(3-fluoromorpholin-4-yl)phenyl] N-benzylcarbamate?
The InChIKey is VSYMPTWTCYJISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-17-13-23-11-10-21(17)15-8-4-5-9-16(15)24-18(22)20-12-14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H,20,22).
What are the key properties of [2-(3-fluoromorpholin-4-yl)phenyl] N-benzylcarbamate?
[2-(3-fluoromorpholin-4-yl)phenyl] N-benzylcarbamate has a molecular weight of 330.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoromorpholin-4-yl)phenyl] N-benzylcarbamate is sourced from PubChem (CID 175399765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).