2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid

C26H23F2NO6 — CID 20695076

IUPAC2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CC[C@](O)(COC(=O)N(c1ccc(F)cc1)c1cccc(F)c1)C2
InChIInChI=1S/C26H23F2NO6/c27-18-7-9-20(10-8-18)29(21-5-2-4-19(28)13-21)25(32)35-16-26(33)12-11-22-17(14-26)3-1-6-23(22)34-15-24(30)31/h1-10,13,33H,11-12,14-16H2,(H,30,31)/t26-/m1/s1
InChIKeyNGXUELJNBORXOM-AREMUKBSSA-N
MW483.47 g/mol
LogP4.62
Rot. Bonds7

About 2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid

2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid (PubChem CID 20695076) has the molecular formula C26H23F2NO6 and a molecular weight of 483.47 g/mol. Its IUPAC name is 2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid
PubChem CID20695076
Molecular FormulaC26H23F2NO6
Molecular Weight483.47 g/mol
Exact Mass483.15
IUPAC Name2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CC[C@](O)(COC(=O)N(c1ccc(F)cc1)c1cccc(F)c1)C2
InChIInChI=1S/C26H23F2NO6/c27-18-7-9-20(10-8-18)29(21-5-2-4-19(28)13-21)25(32)35-16-26(33)12-11-22-17(14-26)3-1-6-23(22)34-15-24(30)31/h1-10,13,33H,11-12,14-16H2,(H,30,31)/t26-/m1/s1
InChIKeyNGXUELJNBORXOM-AREMUKBSSA-N
XLogP4.62
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.47
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid with MolForge

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Related Compounds

ethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate
CID 67598972
sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride
CID 173215030
sodium 2-[[6-(diphenylcarbamoyloxymethyl)-7-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-1-yl]oxy]acetate
CID 139899873
[1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate
CID 22467311
ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 125113228
cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid
CID 143865582
2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid
CID 84664529
2-(4-fluorophenoxy)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]acetamide
CID 90581093
2-[3-(diphenylcarbamoyloxymethyl)-2-methylphenoxy]acetic acid;2-[3-(hydroxymethyl)-2-methylphenoxy]acetic acid
CID 158303824
2-[[6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 23355312
2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid
CID 105481654
4-(4-fluorophenyl)-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propoxy]benzoic acid
CID 67336685

Frequently Asked Questions

What is the IUPAC name of 2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid?
The IUPAC name of 2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid (CID 20695076) is 2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid?
The canonical SMILES for 2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid is O=C(O)COc1cccc2c1CC[C@](O)(COC(=O)N(c1ccc(F)cc1)c1cccc(F)c1)C2.
What is the InChIKey of 2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid?
The InChIKey is NGXUELJNBORXOM-AREMUKBSSA-N. The full InChI is InChI=1S/C26H23F2NO6/c27-18-7-9-20(10-8-18)29(21-5-2-4-19(28)13-21)25(32)35-16-26(33)12-11-22-17(14-26)3-1-6-23(22)34-15-24(30)31/h1-10,13,33H,11-12,14-16H2,(H,30,31)/t26-/m1/s1.
What are the key properties of 2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid?
2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid has a molecular weight of 483.47 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid is sourced from PubChem (CID 20695076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).