2-(4-bromophenyl)-N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]acetamide

C26H23BrN2O3 — CID 112823988

IUPAC2-(4-bromophenyl)-N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c1
InChIInChI=1S/C26H23BrN2O3/c27-22-8-4-18(5-9-22)16-25(31)28-23-3-1-2-21(17-23)26(32)29-14-12-20(13-15-29)19-6-10-24(30)11-7-19/h1-12,17,30H,13-16H2,(H,28,31)
InChIKeyDHCOAXWEBDBPDE-UHFFFAOYSA-N
MW491.39 g/mol
LogP5.27
Rot. Bonds5

About 2-(4-bromophenyl)-N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]acetamide

2-(4-bromophenyl)-N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]acetamide (PubChem CID 112823988) has the molecular formula C26H23BrN2O3 and a molecular weight of 491.39 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]acetamide
PubChem CID112823988
Molecular FormulaC26H23BrN2O3
Molecular Weight491.39 g/mol
Exact Mass490.09
IUPAC Name2-(4-bromophenyl)-N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c1
InChIInChI=1S/C26H23BrN2O3/c27-22-8-4-18(5-9-22)16-25(31)28-23-3-1-2-21(17-23)26(32)29-14-12-20(13-15-29)19-6-10-24(30)11-7-19/h1-12,17,30H,13-16H2,(H,28,31)
InChIKeyDHCOAXWEBDBPDE-UHFFFAOYSA-N
XLogP5.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.39
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]acetamide (CID 112823988) is 2-(4-bromophenyl)-N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]acetamide is O=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]acetamide?
The InChIKey is DHCOAXWEBDBPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrN2O3/c27-22-8-4-18(5-9-22)16-25(31)28-23-3-1-2-21(17-23)26(32)29-14-12-20(13-15-29)19-6-10-24(30)11-7-19/h1-12,17,30H,13-16H2,(H,28,31).
What are the key properties of 2-(4-bromophenyl)-N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]acetamide?
2-(4-bromophenyl)-N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]acetamide has a molecular weight of 491.39 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 112823988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).