[3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate

C11H13FN2O4 — CID 10332621

IUPAC[3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate
SMILESNC(=O)OCC(COC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2O4/c12-9-3-1-7(2-4-9)8(5-17-10(13)15)6-18-11(14)16/h1-4,8H,5-6H2,(H2,13,15)(H2,14,16)
InChIKeyROGOWUAVDVGCOT-UHFFFAOYSA-N
MW256.23 g/mol
LogP1.10
Rot. Bonds5

About [3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate

[3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate (PubChem CID 10332621) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is [3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate.

Molecular Properties

Compound Name[3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate
PubChem CID10332621
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name[3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate
SMILESNC(=O)OCC(COC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2O4/c12-9-3-1-7(2-4-9)8(5-17-10(13)15)6-18-11(14)16/h1-4,8H,5-6H2,(H2,13,15)(H2,14,16)
InChIKeyROGOWUAVDVGCOT-UHFFFAOYSA-N
XLogP1.10
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-carbamoyloxy-2-phenylpropyl) carbamate;hydrate
CID 23581812
[(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride
CID 70099504
2-(4-fluorophenyl)butanediamide
CID 69053213
3-(4-fluorophenyl)-3-methoxypropanamide
CID 69418867
2,2-bis(4-fluorophenyl)ethyl 2-aminoacetate
CID 145114209
2-(4-ethylphenyl)pent-4-enyl carbamate
CID 69105430
(3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid
CID 135070527
methyl 2-(4-fluorophenyl)-3-methoxypropanoate
CID 117245338
3-(4-fluorophenyl)-4,4-dimethylpentanamide
CID 82080473
(3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide
CID 163672048
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
[(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate
CID 175494072

Frequently Asked Questions

What is the IUPAC name of [3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate?
The IUPAC name of [3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate (CID 10332621) is [3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate.
What is the SMILES notation for [3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate?
The canonical SMILES for [3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate is NC(=O)OCC(COC(N)=O)c1ccc(F)cc1.
What is the InChIKey of [3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate?
The InChIKey is ROGOWUAVDVGCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c12-9-3-1-7(2-4-9)8(5-17-10(13)15)6-18-11(14)16/h1-4,8H,5-6H2,(H2,13,15)(H2,14,16).
What are the key properties of [3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate?
[3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate has a molecular weight of 256.23 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate is sourced from PubChem (CID 10332621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).