2-[4-[2-(9-acetamidofluoren-9-yl)ethyl]phenyl]propanoic acid

C26H25NO3 — CID 22751415

IUPAC2-[4-[2-(9-acetamidofluoren-9-yl)ethyl]phenyl]propanoic acid
SMILESCC(=O)NC1(CCc2ccc(C(C)C(=O)O)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H25NO3/c1-17(25(29)30)20-13-11-19(12-14-20)15-16-26(27-18(2)28)23-9-5-3-7-21(23)22-8-4-6-10-24(22)26/h3-14,17H,15-16H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyKKKZNCCZSPLJRH-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.87
Rot. Bonds6

About 2-[4-[2-(9-acetamidofluoren-9-yl)ethyl]phenyl]propanoic acid

2-[4-[2-(9-acetamidofluoren-9-yl)ethyl]phenyl]propanoic acid (PubChem CID 22751415) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[4-[2-(9-acetamidofluoren-9-yl)ethyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[2-(9-acetamidofluoren-9-yl)ethyl]phenyl]propanoic acid
PubChem CID22751415
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name2-[4-[2-(9-acetamidofluoren-9-yl)ethyl]phenyl]propanoic acid
SMILESCC(=O)NC1(CCc2ccc(C(C)C(=O)O)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H25NO3/c1-17(25(29)30)20-13-11-19(12-14-20)15-16-26(27-18(2)28)23-9-5-3-7-21(23)22-8-4-6-10-24(22)26/h3-14,17H,15-16H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyKKKZNCCZSPLJRH-UHFFFAOYSA-N
XLogP4.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(9-acetamidofluoren-9-yl)ethyl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[2-(9-acetamidofluoren-9-yl)ethyl]phenyl]propanoic acid (CID 22751415) is 2-[4-[2-(9-acetamidofluoren-9-yl)ethyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[2-(9-acetamidofluoren-9-yl)ethyl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[2-(9-acetamidofluoren-9-yl)ethyl]phenyl]propanoic acid is CC(=O)NC1(CCc2ccc(C(C)C(=O)O)cc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[4-[2-(9-acetamidofluoren-9-yl)ethyl]phenyl]propanoic acid?
The InChIKey is KKKZNCCZSPLJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-17(25(29)30)20-13-11-19(12-14-20)15-16-26(27-18(2)28)23-9-5-3-7-21(23)22-8-4-6-10-24(22)26/h3-14,17H,15-16H2,1-2H3,(H,27,28)(H,29,30).
What are the key properties of 2-[4-[2-(9-acetamidofluoren-9-yl)ethyl]phenyl]propanoic acid?
2-[4-[2-(9-acetamidofluoren-9-yl)ethyl]phenyl]propanoic acid has a molecular weight of 399.49 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(9-acetamidofluoren-9-yl)ethyl]phenyl]propanoic acid is sourced from PubChem (CID 22751415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).