N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide

C13H16BrN3O2 — CID 43376282

IUPACN-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide
SMILESNc1ccc(NC(=O)CN2CCCCC2=O)c(Br)c1
InChIInChI=1S/C13H16BrN3O2/c14-10-7-9(15)4-5-11(10)16-12(18)8-17-6-2-1-3-13(17)19/h4-5,7H,1-3,6,8,15H2,(H,16,18)
InChIKeyHFKFXDXJBTVLHU-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.98
Rot. Bonds3

About N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide

N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 43376282) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID43376282
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC NameN-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide
SMILESNc1ccc(NC(=O)CN2CCCCC2=O)c(Br)c1
InChIInChI=1S/C13H16BrN3O2/c14-10-7-9(15)4-5-11(10)16-12(18)8-17-6-2-1-3-13(17)19/h4-5,7H,1-3,6,8,15H2,(H,16,18)
InChIKeyHFKFXDXJBTVLHU-UHFFFAOYSA-N
XLogP1.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689876
N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 4787566
N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113255444
N-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 64683209
N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 29294980
N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 81003857
N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 86930614
N-(4-amino-2-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406852
N-(4-amino-2-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 43575163
N-(4-amino-2-bromophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43581094
2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583518
N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 16794654

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide (CID 43376282) is N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide is Nc1ccc(NC(=O)CN2CCCCC2=O)c(Br)c1.
What is the InChIKey of N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is HFKFXDXJBTVLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c14-10-7-9(15)4-5-11(10)16-12(18)8-17-6-2-1-3-13(17)19/h4-5,7H,1-3,6,8,15H2,(H,16,18).
What are the key properties of N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide?
N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 326.19 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 43376282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).