2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide

C23H28BrN3O3 — CID 55387259

IUPAC2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C23H28BrN3O3/c1-2-13-27-14-11-19(12-15-27)26-23(29)20-5-3-4-6-21(20)30-16-22(28)25-18-9-7-17(24)8-10-18/h3-10,19H,2,11-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyLHSRENUZKBNXBU-UHFFFAOYSA-N
MW474.40 g/mol
LogP4.07
Rot. Bonds8

About 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide

2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 55387259) has the molecular formula C23H28BrN3O3 and a molecular weight of 474.40 g/mol. Its IUPAC name is 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID55387259
Molecular FormulaC23H28BrN3O3
Molecular Weight474.40 g/mol
Exact Mass473.13
IUPAC Name2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C23H28BrN3O3/c1-2-13-27-14-11-19(12-15-27)26-23(29)20-5-3-4-6-21(20)30-16-22(28)25-18-9-7-17(24)8-10-18/h3-10,19H,2,11-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyLHSRENUZKBNXBU-UHFFFAOYSA-N
XLogP4.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide
CID 46663703
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide
CID 30156322
ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate
CID 35512538
2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 55514779
5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603311
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide
CID 112759231
2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide
CID 79722366
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 52897026
N-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide
CID 112771544
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
CID 55857067

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide (CID 55387259) is 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(NC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is LHSRENUZKBNXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrN3O3/c1-2-13-27-14-11-19(12-15-27)26-23(29)20-5-3-4-6-21(20)30-16-22(28)25-18-9-7-17(24)8-10-18/h3-10,19H,2,11-16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide?
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 474.40 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 55387259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).