N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride

C13H18BrClN2O2 — CID 119681071

IUPACN-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
SMILESCN(Cc1ccccc1Br)C(=O)C1CNCCO1.Cl
InChIInChI=1S/C13H17BrN2O2.ClH/c1-16(9-10-4-2-3-5-11(10)14)13(17)12-8-15-6-7-18-12;/h2-5,12,15H,6-9H2,1H3;1H
InChIKeyFZEJHGKHTNDWKF-UHFFFAOYSA-N
MW349.66 g/mol
LogP1.82
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride

N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride (PubChem CID 119681071) has the molecular formula C13H18BrClN2O2 and a molecular weight of 349.66 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
PubChem CID119681071
Molecular FormulaC13H18BrClN2O2
Molecular Weight349.66 g/mol
Exact Mass348.02
IUPAC NameN-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
SMILESCN(Cc1ccccc1Br)C(=O)C1CNCCO1.Cl
InChIInChI=1S/C13H17BrN2O2.ClH/c1-16(9-10-4-2-3-5-11(10)14)13(17)12-8-15-6-7-18-12;/h2-5,12,15H,6-9H2,1H3;1H
InChIKeyFZEJHGKHTNDWKF-UHFFFAOYSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.66
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride (CID 119681071) is N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride is CN(Cc1ccccc1Br)C(=O)C1CNCCO1.Cl.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride?
The InChIKey is FZEJHGKHTNDWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2.ClH/c1-16(9-10-4-2-3-5-11(10)14)13(17)12-8-15-6-7-18-12;/h2-5,12,15H,6-9H2,1H3;1H.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride?
N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride has a molecular weight of 349.66 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119681071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).