N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide

C15H20BrClN2O2 — CID 116637305

IUPACN-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
SMILESO=C(CN1CCCCCC1CO)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C15H20BrClN2O2/c16-11-5-6-14(13(17)8-11)18-15(21)9-19-7-3-1-2-4-12(19)10-20/h5-6,8,12,20H,1-4,7,9-10H2,(H,18,21)
InChIKeyICHWXMWZHNIYRE-UHFFFAOYSA-N
MW375.69 g/mol
LogP3.28
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide

N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide (PubChem CID 116637305) has the molecular formula C15H20BrClN2O2 and a molecular weight of 375.69 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
PubChem CID116637305
Molecular FormulaC15H20BrClN2O2
Molecular Weight375.69 g/mol
Exact Mass374.04
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
SMILESO=C(CN1CCCCCC1CO)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C15H20BrClN2O2/c16-11-5-6-14(13(17)8-11)18-15(21)9-19-7-3-1-2-4-12(19)10-20/h5-6,8,12,20H,1-4,7,9-10H2,(H,18,21)
InChIKeyICHWXMWZHNIYRE-UHFFFAOYSA-N
XLogP3.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.69
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide
CID 81493975
N-(4-bromo-2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60685225
N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407752
N-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637787
N-(4-amino-2-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406852
N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684623
N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788356
N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942430
N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406482
N-(5-amino-2-methylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406897
N-(2-chloro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2412165
N-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684580

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide (CID 116637305) is N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide is O=C(CN1CCCCCC1CO)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
The InChIKey is ICHWXMWZHNIYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O2/c16-11-5-6-14(13(17)8-11)18-15(21)9-19-7-3-1-2-4-12(19)10-20/h5-6,8,12,20H,1-4,7,9-10H2,(H,18,21).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide has a molecular weight of 375.69 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide is sourced from PubChem (CID 116637305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).