3-fluoro-N-[5-methoxy-2-(6-methoxynaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide

C32H33FN2O4 — CID 66626199

IUPAC3-fluoro-N-[5-methoxy-2-(6-methoxynaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
SMILESCOc1ccc(-c2ccc3cc(OC)ccc3c2)c(NC(=O)c2ccc(OCCN3CCCCC3)c(F)c2)c1
InChIInChI=1S/C32H33FN2O4/c1-37-26-10-8-22-18-24(7-6-23(22)19-26)28-12-11-27(38-2)21-30(28)34-32(36)25-9-13-31(29(33)20-25)39-17-16-35-14-4-3-5-15-35/h6-13,18-21H,3-5,14-17H2,1-2H3,(H,34,36)
InChIKeyHFPSDHMHYROAFL-UHFFFAOYSA-N
MW528.62 g/mol
LogP6.78
Rot. Bonds9

About 3-fluoro-N-[5-methoxy-2-(6-methoxynaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide

3-fluoro-N-[5-methoxy-2-(6-methoxynaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide (PubChem CID 66626199) has the molecular formula C32H33FN2O4 and a molecular weight of 528.62 g/mol. Its IUPAC name is 3-fluoro-N-[5-methoxy-2-(6-methoxynaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-methoxy-2-(6-methoxynaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
PubChem CID66626199
Molecular FormulaC32H33FN2O4
Molecular Weight528.62 g/mol
Exact Mass528.24
IUPAC Name3-fluoro-N-[5-methoxy-2-(6-methoxynaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
SMILESCOc1ccc(-c2ccc3cc(OC)ccc3c2)c(NC(=O)c2ccc(OCCN3CCCCC3)c(F)c2)c1
InChIInChI=1S/C32H33FN2O4/c1-37-26-10-8-22-18-24(7-6-23(22)19-26)28-12-11-27(38-2)21-30(28)34-32(36)25-9-13-31(29(33)20-25)39-17-16-35-14-4-3-5-15-35/h6-13,18-21H,3-5,14-17H2,1-2H3,(H,34,36)
InChIKeyHFPSDHMHYROAFL-UHFFFAOYSA-N
XLogP6.78
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.62
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-methoxy-2-(6-methoxynaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of 3-fluoro-N-[5-methoxy-2-(6-methoxynaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide (CID 66626199) is 3-fluoro-N-[5-methoxy-2-(6-methoxynaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for 3-fluoro-N-[5-methoxy-2-(6-methoxynaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for 3-fluoro-N-[5-methoxy-2-(6-methoxynaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide is COc1ccc(-c2ccc3cc(OC)ccc3c2)c(NC(=O)c2ccc(OCCN3CCCCC3)c(F)c2)c1.
What is the InChIKey of 3-fluoro-N-[5-methoxy-2-(6-methoxynaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The InChIKey is HFPSDHMHYROAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN2O4/c1-37-26-10-8-22-18-24(7-6-23(22)19-26)28-12-11-27(38-2)21-30(28)34-32(36)25-9-13-31(29(33)20-25)39-17-16-35-14-4-3-5-15-35/h6-13,18-21H,3-5,14-17H2,1-2H3,(H,34,36).
What are the key properties of 3-fluoro-N-[5-methoxy-2-(6-methoxynaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
3-fluoro-N-[5-methoxy-2-(6-methoxynaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide has a molecular weight of 528.62 g/mol, XLogP of 6.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-methoxy-2-(6-methoxynaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 66626199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).