2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide

C16H21BrN2O2 — CID 39515430

IUPAC2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCN1CCCCCC1=O
InChIInChI=1S/C16H21BrN2O2/c17-14-7-5-13(6-8-14)12-15(20)18-9-11-19-10-3-1-2-4-16(19)21/h5-8H,1-4,9-12H2,(H,18,20)
InChIKeyXYHDCLYWGRWGBP-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.51
Rot. Bonds5

About 2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide

2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide (PubChem CID 39515430) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
PubChem CID39515430
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCN1CCCCCC1=O
InChIInChI=1S/C16H21BrN2O2/c17-14-7-5-13(6-8-14)12-15(20)18-9-11-19-10-3-1-2-4-16(19)21/h5-8H,1-4,9-12H2,(H,18,20)
InChIKeyXYHDCLYWGRWGBP-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide
CID 78802507
N-[2-(2-oxopiperidin-1-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide
CID 91787002
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
2-(4-nitrophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78802488
2-(3-methoxyphenyl)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722800
2-(1H-indol-3-yl)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110743638
1-[(4-bromophenyl)methyl]azepan-2-one
CID 55137398
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide
CID 39514014
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 166506421
3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide
CID 55694248
2-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712327

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide (CID 39515430) is 2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide is O=C(Cc1ccc(Br)cc1)NCCN1CCCCCC1=O.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide?
The InChIKey is XYHDCLYWGRWGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c17-14-7-5-13(6-8-14)12-15(20)18-9-11-19-10-3-1-2-4-16(19)21/h5-8H,1-4,9-12H2,(H,18,20).
What are the key properties of 2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide?
2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide has a molecular weight of 353.26 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide is sourced from PubChem (CID 39515430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).