2-benzamido-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid

C27H22FNO4 — CID 54768270

IUPAC2-benzamido-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid
SMILESO=C(NC(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)C(=O)O)c1ccccc1
InChIInChI=1S/C27H22FNO4/c28-24-9-5-4-8-22(24)17-33-23-13-12-20-14-18(10-11-21(20)16-23)15-25(27(31)32)29-26(30)19-6-2-1-3-7-19/h1-14,16,25H,15,17H2,(H,29,30)(H,31,32)
InChIKeyMDVFUMJBIBNOQG-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.98
Rot. Bonds8

About 2-benzamido-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid

2-benzamido-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid (PubChem CID 54768270) has the molecular formula C27H22FNO4 and a molecular weight of 443.47 g/mol. Its IUPAC name is 2-benzamido-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid.

Molecular Properties

Compound Name2-benzamido-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid
PubChem CID54768270
Molecular FormulaC27H22FNO4
Molecular Weight443.47 g/mol
Exact Mass443.15
IUPAC Name2-benzamido-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid
SMILESO=C(NC(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)C(=O)O)c1ccccc1
InChIInChI=1S/C27H22FNO4/c28-24-9-5-4-8-22(24)17-33-23-13-12-20-14-18(10-11-21(20)16-23)15-25(27(31)32)29-26(30)19-6-2-1-3-7-19/h1-14,16,25H,15,17H2,(H,29,30)(H,31,32)
InChIKeyMDVFUMJBIBNOQG-UHFFFAOYSA-N
XLogP4.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid?
The IUPAC name of 2-benzamido-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid (CID 54768270) is 2-benzamido-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid.
What is the SMILES notation for 2-benzamido-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid?
The canonical SMILES for 2-benzamido-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid is O=C(NC(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)C(=O)O)c1ccccc1.
What is the InChIKey of 2-benzamido-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid?
The InChIKey is MDVFUMJBIBNOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FNO4/c28-24-9-5-4-8-22(24)17-33-23-13-12-20-14-18(10-11-21(20)16-23)15-25(27(31)32)29-26(30)19-6-2-1-3-7-19/h1-14,16,25H,15,17H2,(H,29,30)(H,31,32).
What are the key properties of 2-benzamido-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid?
2-benzamido-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid has a molecular weight of 443.47 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid is sourced from PubChem (CID 54768270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).