N-(2-bromophenyl)-N-methylmorpholine-3-carboxamide

C12H15BrN2O2 — CID 115177610

IUPACN-(2-bromophenyl)-N-methylmorpholine-3-carboxamide
SMILESCN(C(=O)C1COCCN1)c1ccccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-15(11-5-3-2-4-9(11)13)12(16)10-8-17-7-6-14-10/h2-5,10,14H,6-8H2,1H3
InChIKeyAFXAHBNQBVREEA-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.40
Rot. Bonds2

About N-(2-bromophenyl)-N-methylmorpholine-3-carboxamide

N-(2-bromophenyl)-N-methylmorpholine-3-carboxamide (PubChem CID 115177610) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(2-bromophenyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N-methylmorpholine-3-carboxamide
PubChem CID115177610
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(2-bromophenyl)-N-methylmorpholine-3-carboxamide
SMILESCN(C(=O)C1COCCN1)c1ccccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-15(11-5-3-2-4-9(11)13)12(16)10-8-17-7-6-14-10/h2-5,10,14H,6-8H2,1H3
InChIKeyAFXAHBNQBVREEA-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2,4,6-trimethylphenyl)morpholine-3-carboxamide
CID 115177590
N-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide
CID 115177573
N-methyl-N-(4-propylphenyl)morpholine-3-carboxamide
CID 115177584
N-(2,6-dibromophenyl)morpholine-3-carboxamide
CID 107599564
N-methyl-N-[(2-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119681680
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119682446
(3R)-N-methyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 124513206
N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide
CID 115177679
trans-(1S,2S)-2-[(2-bromophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 46930368
N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 115177667
(3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide
CID 16681349
N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide
CID 63104359

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-N-methylmorpholine-3-carboxamide (CID 115177610) is N-(2-bromophenyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-N-methylmorpholine-3-carboxamide is CN(C(=O)C1COCCN1)c1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is AFXAHBNQBVREEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-15(11-5-3-2-4-9(11)13)12(16)10-8-17-7-6-14-10/h2-5,10,14H,6-8H2,1H3.
What are the key properties of N-(2-bromophenyl)-N-methylmorpholine-3-carboxamide?
N-(2-bromophenyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 115177610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).