7-[[3-fluoro-4-[3-(4-hydroxyphenyl)propanoyl]phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide

C32H34FNO6 — CID 163892802

About 7-[[3-fluoro-4-[3-(4-hydroxyphenyl)propanoyl]phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide

7-[[3-fluoro-4-[3-(4-hydroxyphenyl)propanoyl]phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 163892802) has the molecular formula C32H34FNO6 and a molecular weight of 547.62 g/mol. Its IUPAC name is 7-[[3-fluoro-4-[3-(4-hydroxyphenyl)propanoyl]phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

• Compound Name: 7-[[3-fluoro-4-[3-(4-hydroxyphenyl)propanoyl]phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide
• PubChem CID: 163892802
• Molecular Formula: C32H34FNO6
• Molecular Weight: 547.62 g/mol
• Exact Mass: 547.24
• IUPAC Name: 7-[[3-fluoro-4-[3-(4-hydroxyphenyl)propanoyl]phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide
• SMILES: COc1c(C(=O)N[C@H]2CCOC[C@@H]2O)cc(Cc2ccc(C(=O)CCc3ccc(O)cc3)c(F)c2)c2c1CCC2
• InChI: InChI=1S/C32H34FNO6/c1-39-31-24-4-2-3-23(24)21(17-26(31)32(38)34-28-13-14-40-18-30(28)37)15-20-7-11-25(27(33)16-20)29(36)12-8-19-5-9-22(35)10-6-19/h5-7,9-11,16-17,28,30,35,37H,2-4,8,12-15,18H2,1H3,(H,34,38)/t28-,30-/m0/s1
• InChIKey: QDACYXYARIENNA-JDXGNMNLSA-N
• XLogP: 4.31
• TPSA: 105.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.62
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[[3-fluoro-4-[3-(4-hydroxyphenyl)propanoyl]phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?

The IUPAC name of 7-[[3-fluoro-4-[3-(4-hydroxyphenyl)propanoyl]phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide (CID 163892802) is 7-[[3-fluoro-4-[3-(4-hydroxyphenyl)propanoyl]phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide.

What is the SMILES notation for 7-[[3-fluoro-4-[3-(4-hydroxyphenyl)propanoyl]phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?

The canonical SMILES for 7-[[3-fluoro-4-[3-(4-hydroxyphenyl)propanoyl]phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide is COc1c(C(=O)N[C@H]2CCOC[C@@H]2O)cc(Cc2ccc(C(=O)CCc3ccc(O)cc3)c(F)c2)c2c1CCC2.

What is the InChIKey of 7-[[3-fluoro-4-[3-(4-hydroxyphenyl)propanoyl]phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?

The InChIKey is QDACYXYARIENNA-JDXGNMNLSA-N. The full InChI is InChI=1S/C32H34FNO6/c1-39-31-24-4-2-3-23(24)21(17-26(31)32(38)34-28-13-14-40-18-30(28)37)15-20-7-11-25(27(33)16-20)29(36)12-8-19-5-9-22(35)10-6-19/h5-7,9-11,16-17,28,30,35,37H,2-4,8,12-15,18H2,1H3,(H,34,38)/t28-,30-/m0/s1.

What are the key properties of 7-[[3-fluoro-4-[3-(4-hydroxyphenyl)propanoyl]phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?

7-[[3-fluoro-4-[3-(4-hydroxyphenyl)propanoyl]phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 547.62 g/mol, XLogP of 4.31, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[3-fluoro-4-[3-(4-hydroxyphenyl)propanoyl]phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 163892802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).