(6R)-4-[4-(4-fluorophenyl)phenyl]-6-(phenylmethoxymethyl)decanamide

C30H36FNO2 — CID 67717514

IUPAC(6R)-4-[4-(4-fluorophenyl)phenyl]-6-(phenylmethoxymethyl)decanamide
SMILESCCCCC(COCc1ccccc1)CC(CCC(N)=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C30H36FNO2/c1-2-3-7-24(22-34-21-23-8-5-4-6-9-23)20-28(16-19-30(32)33)27-12-10-25(11-13-27)26-14-17-29(31)18-15-26/h4-6,8-15,17-18,24,28H,2-3,7,16,19-22H2,1H3,(H2,32,33)
InChIKeyBTEVIAXSHOOXDD-UHFFFAOYSA-N
MW461.62 g/mol
LogP7.26
Rot. Bonds14

About (6R)-4-[4-(4-fluorophenyl)phenyl]-6-(phenylmethoxymethyl)decanamide

(6R)-4-[4-(4-fluorophenyl)phenyl]-6-(phenylmethoxymethyl)decanamide (PubChem CID 67717514) has the molecular formula C30H36FNO2 and a molecular weight of 461.62 g/mol. Its IUPAC name is (6R)-4-[4-(4-fluorophenyl)phenyl]-6-(phenylmethoxymethyl)decanamide.

Molecular Properties

Compound Name(6R)-4-[4-(4-fluorophenyl)phenyl]-6-(phenylmethoxymethyl)decanamide
PubChem CID67717514
Molecular FormulaC30H36FNO2
Molecular Weight461.62 g/mol
Exact Mass461.27
IUPAC Name(6R)-4-[4-(4-fluorophenyl)phenyl]-6-(phenylmethoxymethyl)decanamide
SMILESCCCCC(COCc1ccccc1)CC(CCC(N)=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C30H36FNO2/c1-2-3-7-24(22-34-21-23-8-5-4-6-9-23)20-28(16-19-30(32)33)27-12-10-25(11-13-27)26-14-17-29(31)18-15-26/h4-6,8-15,17-18,24,28H,2-3,7,16,19-22H2,1H3,(H2,32,33)
InChIKeyBTEVIAXSHOOXDD-UHFFFAOYSA-N
XLogP7.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.62
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-[4-(4-fluorophenyl)phenyl]-6-(phenylmethoxymethyl)decanamide?
The IUPAC name of (6R)-4-[4-(4-fluorophenyl)phenyl]-6-(phenylmethoxymethyl)decanamide (CID 67717514) is (6R)-4-[4-(4-fluorophenyl)phenyl]-6-(phenylmethoxymethyl)decanamide.
What is the SMILES notation for (6R)-4-[4-(4-fluorophenyl)phenyl]-6-(phenylmethoxymethyl)decanamide?
The canonical SMILES for (6R)-4-[4-(4-fluorophenyl)phenyl]-6-(phenylmethoxymethyl)decanamide is CCCCC(COCc1ccccc1)CC(CCC(N)=O)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of (6R)-4-[4-(4-fluorophenyl)phenyl]-6-(phenylmethoxymethyl)decanamide?
The InChIKey is BTEVIAXSHOOXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FNO2/c1-2-3-7-24(22-34-21-23-8-5-4-6-9-23)20-28(16-19-30(32)33)27-12-10-25(11-13-27)26-14-17-29(31)18-15-26/h4-6,8-15,17-18,24,28H,2-3,7,16,19-22H2,1H3,(H2,32,33).
What are the key properties of (6R)-4-[4-(4-fluorophenyl)phenyl]-6-(phenylmethoxymethyl)decanamide?
(6R)-4-[4-(4-fluorophenyl)phenyl]-6-(phenylmethoxymethyl)decanamide has a molecular weight of 461.62 g/mol, XLogP of 7.26, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[4-(4-fluorophenyl)phenyl]-6-(phenylmethoxymethyl)decanamide is sourced from PubChem (CID 67717514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).