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

C12H15BrN2O2 — CID 115177440

IUPACN-(3-bromophenyl)-N-methylmorpholine-2-carboxamide
SMILESCN(C(=O)C1CNCCO1)c1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O2/c1-15(10-4-2-3-9(13)7-10)12(16)11-8-14-5-6-17-11/h2-4,7,11,14H,5-6,8H2,1H3
InChIKeyUVVNRNHXVLDBCF-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.40
Rot. Bonds2

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

N-(3-bromophenyl)-N-methylmorpholine-2-carboxamide (PubChem CID 115177440) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-methylmorpholine-2-carboxamide
PubChem CID115177440
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(3-bromophenyl)-N-methylmorpholine-2-carboxamide
SMILESCN(C(=O)C1CNCCO1)c1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O2/c1-15(10-4-2-3-9(13)7-10)12(16)11-8-14-5-6-17-11/h2-4,7,11,14H,5-6,8H2,1H3
InChIKeyUVVNRNHXVLDBCF-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-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119707893
N-methyl-N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119706070
N-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide
CID 115177410
1-methyl-1-(3-morpholin-2-ylphenyl)urea
CID 117342534
N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160586
N,N-dimethylmorpholine-2-carboxamide;ethane
CID 144883589
N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970
N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119705770
N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119681071
N-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide
CID 126486008
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119684877
N-(3-bromophenyl)-N-methylcarbamoyl bromide
CID 115193496

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-methylmorpholine-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-N-methylmorpholine-2-carboxamide (CID 115177440) is N-(3-bromophenyl)-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-N-methylmorpholine-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-N-methylmorpholine-2-carboxamide is CN(C(=O)C1CNCCO1)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N-methylmorpholine-2-carboxamide?
The InChIKey is UVVNRNHXVLDBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-15(10-4-2-3-9(13)7-10)12(16)11-8-14-5-6-17-11/h2-4,7,11,14H,5-6,8H2,1H3.
What are the key properties of N-(3-bromophenyl)-N-methylmorpholine-2-carboxamide?
N-(3-bromophenyl)-N-methylmorpholine-2-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-(3-bromophenyl)-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 115177440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).