[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate

C19H26FNO4 — CID 123526733

IUPAC[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate
SMILESCOCOC(c1ccccc1F)C(C)OC(=O)NC1CC2CCC1C2
InChIInChI=1S/C19H26FNO4/c1-12(18(24-11-23-2)15-5-3-4-6-16(15)20)25-19(22)21-17-10-13-7-8-14(17)9-13/h3-6,12-14,17-18H,7-11H2,1-2H3,(H,21,22)
InChIKeyFDQOVNUYURJLAD-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.79
Rot. Bonds7

About [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate

[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate (PubChem CID 123526733) has the molecular formula C19H26FNO4 and a molecular weight of 351.42 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate
PubChem CID123526733
Molecular FormulaC19H26FNO4
Molecular Weight351.42 g/mol
Exact Mass351.18
IUPAC Name[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate
SMILESCOCOC(c1ccccc1F)C(C)OC(=O)NC1CC2CCC1C2
InChIInChI=1S/C19H26FNO4/c1-12(18(24-11-23-2)15-5-3-4-6-16(15)20)25-19(22)21-17-10-13-7-8-14(17)9-13/h3-6,12-14,17-18H,7-11H2,1-2H3,(H,21,22)
InChIKeyFDQOVNUYURJLAD-UHFFFAOYSA-N
XLogP3.79
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate
CID 123827568
[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] 3-methylbutanoate
CID 158510765
1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone
CID 71488457
[(1S)-1-(2-fluorophenyl)ethyl] N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate
CID 11679149
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-hydroxy-2-phenylacetamide
CID 129445975
(2S)-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylpropanamide
CID 881755
(2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide
CID 98112246
(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide
CID 100581699
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide
CID 96569471
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methoxyphenoxy)acetamide
CID 124923600

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate?
The IUPAC name of [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate (CID 123526733) is [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate.
What is the SMILES notation for [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate?
The canonical SMILES for [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate is COCOC(c1ccccc1F)C(C)OC(=O)NC1CC2CCC1C2.
What is the InChIKey of [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate?
The InChIKey is FDQOVNUYURJLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO4/c1-12(18(24-11-23-2)15-5-3-4-6-16(15)20)25-19(22)21-17-10-13-7-8-14(17)9-13/h3-6,12-14,17-18H,7-11H2,1-2H3,(H,21,22).
What are the key properties of [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate?
[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate has a molecular weight of 351.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate is sourced from PubChem (CID 123526733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).