N-[1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide

C23H21BrFN3O2 — CID 137307071

IUPACN-[1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(-c3cccc(F)c3)cc(-c3cc(Br)ccc3O)n2)C1
InChIInChI=1S/C23H21BrFN3O2/c1-14(29)26-19-7-8-28(13-19)23-11-16(15-3-2-4-18(25)9-15)10-21(27-23)20-12-17(24)5-6-22(20)30/h2-6,9-12,19,30H,7-8,13H2,1H3,(H,26,29)
InChIKeyJBYPVPHNXBCXIA-UHFFFAOYSA-N
MW470.34 g/mol
LogP4.74
Rot. Bonds4

About N-[1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide

N-[1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 137307071) has the molecular formula C23H21BrFN3O2 and a molecular weight of 470.34 g/mol. Its IUPAC name is N-[1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
PubChem CID137307071
Molecular FormulaC23H21BrFN3O2
Molecular Weight470.34 g/mol
Exact Mass469.08
IUPAC NameN-[1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(-c3cccc(F)c3)cc(-c3cc(Br)ccc3O)n2)C1
InChIInChI=1S/C23H21BrFN3O2/c1-14(29)26-19-7-8-28(13-19)23-11-16(15-3-2-4-18(25)9-15)10-21(27-23)20-12-17(24)5-6-22(20)30/h2-6,9-12,19,30H,7-8,13H2,1H3,(H,26,29)
InChIKeyJBYPVPHNXBCXIA-UHFFFAOYSA-N
XLogP4.74
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.34
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide (CID 137307071) is N-[1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2cc(-c3cccc(F)c3)cc(-c3cc(Br)ccc3O)n2)C1.
What is the InChIKey of N-[1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The InChIKey is JBYPVPHNXBCXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrFN3O2/c1-14(29)26-19-7-8-28(13-19)23-11-16(15-3-2-4-18(25)9-15)10-21(27-23)20-12-17(24)5-6-22(20)30/h2-6,9-12,19,30H,7-8,13H2,1H3,(H,26,29).
What are the key properties of N-[1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
N-[1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 470.34 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 137307071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).