2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-N-(2-pyridin-2-ylethyl)propanamide

C22H21BrN2O3 — CID 91548664

IUPAC2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(C(=O)NCCc1ccccn1)c1c(Br)c(O)cc(O)c1-c1ccccc1
InChIInChI=1S/C22H21BrN2O3/c1-14(22(28)25-12-10-16-9-5-6-11-24-16)19-20(15-7-3-2-4-8-15)17(26)13-18(27)21(19)23/h2-9,11,13-14,26-27H,10,12H2,1H3,(H,25,28)
InChIKeyGGUCSIFOLYIMGX-UHFFFAOYSA-N
MW441.33 g/mol
LogP4.38
Rot. Bonds6

About 2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-N-(2-pyridin-2-ylethyl)propanamide

2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 91548664) has the molecular formula C22H21BrN2O3 and a molecular weight of 441.33 g/mol. Its IUPAC name is 2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID91548664
Molecular FormulaC22H21BrN2O3
Molecular Weight441.33 g/mol
Exact Mass440.07
IUPAC Name2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(C(=O)NCCc1ccccn1)c1c(Br)c(O)cc(O)c1-c1ccccc1
InChIInChI=1S/C22H21BrN2O3/c1-14(22(28)25-12-10-16-9-5-6-11-24-16)19-20(15-7-3-2-4-8-15)17(26)13-18(27)21(19)23/h2-9,11,13-14,26-27H,10,12H2,1H3,(H,25,28)
InChIKeyGGUCSIFOLYIMGX-UHFFFAOYSA-N
XLogP4.38
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-N-(2-pyridin-2-ylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
CID 51164070
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
3-(2-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141809
(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
CID 69303223
2-[1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 91147175
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
2-(2-pyridin-2-ylethylsulfamoyl)propanoic acid
CID 54947851

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-N-(2-pyridin-2-ylethyl)propanamide (CID 91548664) is 2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-N-(2-pyridin-2-ylethyl)propanamide is CC(C(=O)NCCc1ccccn1)c1c(Br)c(O)cc(O)c1-c1ccccc1.
What is the InChIKey of 2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is GGUCSIFOLYIMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3/c1-14(22(28)25-12-10-16-9-5-6-11-24-16)19-20(15-7-3-2-4-8-15)17(26)13-18(27)21(19)23/h2-9,11,13-14,26-27H,10,12H2,1H3,(H,25,28).
What are the key properties of 2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-N-(2-pyridin-2-ylethyl)propanamide?
2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 441.33 g/mol, XLogP of 4.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 91548664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).