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

C26H23F2NO6 — CID 20695075

IUPAC2-[[(6R)-6-[[(2-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)c1ccccc1F)C2
InChIInChI=1S/C26H23F2NO6/c27-18-8-10-19(11-9-18)29(22-6-2-1-5-21(22)28)25(32)35-16-26(33)13-12-20-17(14-26)4-3-7-23(20)34-15-24(30)31/h1-11,33H,12-16H2,(H,30,31)/t26-/m1/s1
InChIKeyABBSHDFWMRFGOC-AREMUKBSSA-N
MW483.47 g/mol
LogP4.62
Rot. Bonds7

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

2-[[(6R)-6-[[(2-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid (PubChem CID 20695075) has the molecular formula C26H23F2NO6 and a molecular weight of 483.47 g/mol. Its IUPAC name is 2-[[(6R)-6-[[(2-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[(6R)-6-[[(2-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid
PubChem CID20695075
Molecular FormulaC26H23F2NO6
Molecular Weight483.47 g/mol
Exact Mass483.15
IUPAC Name2-[[(6R)-6-[[(2-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)c1ccccc1F)C2
InChIInChI=1S/C26H23F2NO6/c27-18-8-10-19(11-9-18)29(22-6-2-1-5-21(22)28)25(32)35-16-26(33)13-12-20-17(14-26)4-3-7-23(20)34-15-24(30)31/h1-11,33H,12-16H2,(H,30,31)/t26-/m1/s1
InChIKeyABBSHDFWMRFGOC-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

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Related Compounds

FK-788
CID 9911469
2-[[(6R)-6-[bis(4-fluorophenyl)carbamoyloxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid
CID 9935977
2-[[6-(Diphenylcarbamoyloxymethyl)-7,8-dihydronaphthalen-1-yl]oxy]acetic acid
CID 19082464
2-[[(6R)-6-[[(4-bromophenyl)-phenylcarbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid
CID 20695072
2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid
CID 20695076
(2R)-5-(carboxymethoxy)-2-[(N-4-fluorophenyl-N-phenyl-carbamoyloxy)methyl]-2-hydroxy-1,2,3,4-tetrahydronaphthalene
CID 20695077
[5-(carboxymethoxy)-1,2,3,4-tetrahydro-2-naphthyl]methyl N,N-diphenylcarbamate
CID 44402710
PH-Cbr-2016-001-hvac-04764-0I
CID 44402739
2-[[(5S,6R)-6-(diphenylcarbamoyloxymethyl)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 44402774
2-[[(6R)-6-[bis(2-fluorophenyl)carbamoyloxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid
CID 44415596
2-[[(6R)-6-[bis(3-fluorophenyl)carbamoyloxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid
CID 44415650
2-[[(6R)-6-hydroxy-6-[[(4-hydroxyphenyl)-phenylcarbamoyl]oxymethyl]-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid
CID 44415806

Frequently Asked Questions

What is the IUPAC name of 2-[[(6R)-6-[[(2-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid?
The IUPAC name of 2-[[(6R)-6-[[(2-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid (CID 20695075) is 2-[[(6R)-6-[[(2-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-[[(2-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid?
The canonical SMILES for 2-[[(6R)-6-[[(2-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)c1ccccc1F)C2.
What is the InChIKey of 2-[[(6R)-6-[[(2-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid?
The InChIKey is ABBSHDFWMRFGOC-AREMUKBSSA-N. The full InChI is InChI=1S/C26H23F2NO6/c27-18-8-10-19(11-9-18)29(22-6-2-1-5-21(22)28)25(32)35-16-26(33)13-12-20-17(14-26)4-3-7-23(20)34-15-24(30)31/h1-11,33H,12-16H2,(H,30,31)/t26-/m1/s1.
What are the key properties of 2-[[(6R)-6-[[(2-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid?
2-[[(6R)-6-[[(2-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-[[(2-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid is sourced from PubChem (CID 20695075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).