N-(2-bromophenyl)-2-morpholin-4-ylacetamide;hydrochloride

C12H16BrClN2O2 — CID 3072661

IUPACN-(2-bromophenyl)-2-morpholin-4-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCOCC1)Nc1ccccc1Br
InChIInChI=1S/C12H15BrN2O2.ClH/c13-10-3-1-2-4-11(10)14-12(16)9-15-5-7-17-8-6-15;/h1-4H,5-9H2,(H,14,16);1H
InChIKeyOTCKKQNKVPTYMU-UHFFFAOYSA-N
MW335.63 g/mol
LogP2.14
Rot. Bonds3

About N-(2-bromophenyl)-2-morpholin-4-ylacetamide;hydrochloride

N-(2-bromophenyl)-2-morpholin-4-ylacetamide;hydrochloride (PubChem CID 3072661) has the molecular formula C12H16BrClN2O2 and a molecular weight of 335.63 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-morpholin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-morpholin-4-ylacetamide;hydrochloride
PubChem CID3072661
Molecular FormulaC12H16BrClN2O2
Molecular Weight335.63 g/mol
Exact Mass334.01
IUPAC NameN-(2-bromophenyl)-2-morpholin-4-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCOCC1)Nc1ccccc1Br
InChIInChI=1S/C12H15BrN2O2.ClH/c13-10-3-1-2-4-11(10)14-12(16)9-15-5-7-17-8-6-15;/h1-4H,5-9H2,(H,14,16);1H
InChIKeyOTCKKQNKVPTYMU-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-morpholin-4-ylacetamide;hydrochloride?
The IUPAC name of N-(2-bromophenyl)-2-morpholin-4-ylacetamide;hydrochloride (CID 3072661) is N-(2-bromophenyl)-2-morpholin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-bromophenyl)-2-morpholin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-bromophenyl)-2-morpholin-4-ylacetamide;hydrochloride is Cl.O=C(CN1CCOCC1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-morpholin-4-ylacetamide;hydrochloride?
The InChIKey is OTCKKQNKVPTYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2.ClH/c13-10-3-1-2-4-11(10)14-12(16)9-15-5-7-17-8-6-15;/h1-4H,5-9H2,(H,14,16);1H.
What are the key properties of N-(2-bromophenyl)-2-morpholin-4-ylacetamide;hydrochloride?
N-(2-bromophenyl)-2-morpholin-4-ylacetamide;hydrochloride has a molecular weight of 335.63 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-morpholin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 3072661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).