sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride

C23H27FNNaO5 — CID 173215030

IUPACsodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride
SMILESO=C(O)COCC1CCC(COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1.[H-].[Na+]
InChIInChI=1S/C23H26FNO5.Na.H/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27;;/h1-8,13,17-18H,9-12,14-16H2,(H,26,27);;/q;+1;-1
InChIKeyUTBNNDBVFAJETE-UHFFFAOYSA-N
MW439.46 g/mol
LogP2.12
Rot. Bonds8

About sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride

sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride (PubChem CID 173215030) has the molecular formula C23H27FNNaO5 and a molecular weight of 439.46 g/mol. Its IUPAC name is sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride.

Molecular Properties

Compound Namesodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride
PubChem CID173215030
Molecular FormulaC23H27FNNaO5
Molecular Weight439.46 g/mol
Exact Mass439.18
IUPAC Namesodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride
SMILESO=C(O)COCC1CCC(COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1.[H-].[Na+]
InChIInChI=1S/C23H26FNO5.Na.H/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27;;/h1-8,13,17-18H,9-12,14-16H2,(H,26,27);;/q;+1;-1
InChIKeyUTBNNDBVFAJETE-UHFFFAOYSA-N
XLogP2.12
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride?
The IUPAC name of sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride (CID 173215030) is sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride.
What is the SMILES notation for sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride?
The canonical SMILES for sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride is O=C(O)COCC1CCC(COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1.[H-].[Na+].
What is the InChIKey of sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride?
The InChIKey is UTBNNDBVFAJETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO5.Na.H/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27;;/h1-8,13,17-18H,9-12,14-16H2,(H,26,27);;/q;+1;-1.
What are the key properties of sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride?
sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride has a molecular weight of 439.46 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride is sourced from PubChem (CID 173215030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).