2-(3-fluoro-4-phenylphenyl)propanoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

C37H41FN2O3 — CID 11592312

IUPAC2-(3-fluoro-4-phenylphenyl)propanoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1.CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O.C15H13FO2/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h3-12,21H,2,13-18H2,1H3;2-10H,1H3,(H,17,18)
InChIKeyYEJNIRWQEAWITR-UHFFFAOYSA-N
MW580.74 g/mol
LogP7.82
Rot. Bonds9

About 2-(3-fluoro-4-phenylphenyl)propanoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

2-(3-fluoro-4-phenylphenyl)propanoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (PubChem CID 11592312) has the molecular formula C37H41FN2O3 and a molecular weight of 580.74 g/mol. Its IUPAC name is 2-(3-fluoro-4-phenylphenyl)propanoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-phenylphenyl)propanoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
PubChem CID11592312
Molecular FormulaC37H41FN2O3
Molecular Weight580.74 g/mol
Exact Mass580.31
IUPAC Name2-(3-fluoro-4-phenylphenyl)propanoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1.CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O.C15H13FO2/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h3-12,21H,2,13-18H2,1H3;2-10H,1H3,(H,17,18)
InChIKeyYEJNIRWQEAWITR-UHFFFAOYSA-N
XLogP7.82
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.74
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluoro-4-phenylphenyl)propanoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-phenylphenyl)propanoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-(3-fluoro-4-phenylphenyl)propanoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (CID 11592312) is 2-(3-fluoro-4-phenylphenyl)propanoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(3-fluoro-4-phenylphenyl)propanoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-(3-fluoro-4-phenylphenyl)propanoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1.CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-(3-fluoro-4-phenylphenyl)propanoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The InChIKey is YEJNIRWQEAWITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O.C15H13FO2/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h3-12,21H,2,13-18H2,1H3;2-10H,1H3,(H,17,18).
What are the key properties of 2-(3-fluoro-4-phenylphenyl)propanoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
2-(3-fluoro-4-phenylphenyl)propanoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide has a molecular weight of 580.74 g/mol, XLogP of 7.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-phenylphenyl)propanoic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 11592312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).