2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide

C25H26FNO3 — CID 10287636

IUPAC2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide
SMILESCC(C)(CC(O)(Cc1ccccc1)C(=O)Nc1ccccc1)c1cc(F)ccc1O
InChIInChI=1S/C25H26FNO3/c1-24(2,21-15-19(26)13-14-22(21)28)17-25(30,16-18-9-5-3-6-10-18)23(29)27-20-11-7-4-8-12-20/h3-15,28,30H,16-17H2,1-2H3,(H,27,29)
InChIKeyRQCXGYKOBDZQPN-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.81
Rot. Bonds7

About 2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide

2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide (PubChem CID 10287636) has the molecular formula C25H26FNO3 and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide.

Molecular Properties

Compound Name2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide
PubChem CID10287636
Molecular FormulaC25H26FNO3
Molecular Weight407.49 g/mol
Exact Mass407.19
IUPAC Name2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide
SMILESCC(C)(CC(O)(Cc1ccccc1)C(=O)Nc1ccccc1)c1cc(F)ccc1O
InChIInChI=1S/C25H26FNO3/c1-24(2,21-15-19(26)13-14-22(21)28)17-25(30,16-18-9-5-3-6-10-18)23(29)27-20-11-7-4-8-12-20/h3-15,28,30H,16-17H2,1-2H3,(H,27,29)
InChIKeyRQCXGYKOBDZQPN-UHFFFAOYSA-N
XLogP4.81
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide?
The IUPAC name of 2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide (CID 10287636) is 2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide.
What is the SMILES notation for 2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide?
The canonical SMILES for 2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide is CC(C)(CC(O)(Cc1ccccc1)C(=O)Nc1ccccc1)c1cc(F)ccc1O.
What is the InChIKey of 2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide?
The InChIKey is RQCXGYKOBDZQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO3/c1-24(2,21-15-19(26)13-14-22(21)28)17-25(30,16-18-9-5-3-6-10-18)23(29)27-20-11-7-4-8-12-20/h3-15,28,30H,16-17H2,1-2H3,(H,27,29).
What are the key properties of 2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide?
2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide has a molecular weight of 407.49 g/mol, XLogP of 4.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide is sourced from PubChem (CID 10287636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).