N-(3-bromophenyl)-N-methylmorpholine-4-carboxamide

C12H15BrN2O2 — CID 66906368

IUPACN-(3-bromophenyl)-N-methylmorpholine-4-carboxamide
SMILESCN(C(=O)N1CCOCC1)c1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O2/c1-14(11-4-2-3-10(13)9-11)12(16)15-5-7-17-8-6-15/h2-4,9H,5-8H2,1H3
InChIKeyCSVIDKLBBMSTLA-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.34
Rot. Bonds1

About N-(3-bromophenyl)-N-methylmorpholine-4-carboxamide

N-(3-bromophenyl)-N-methylmorpholine-4-carboxamide (PubChem CID 66906368) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-methylmorpholine-4-carboxamide
PubChem CID66906368
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(3-bromophenyl)-N-methylmorpholine-4-carboxamide
SMILESCN(C(=O)N1CCOCC1)c1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O2/c1-14(11-4-2-3-10(13)9-11)12(16)15-5-7-17-8-6-15/h2-4,9H,5-8H2,1H3
InChIKeyCSVIDKLBBMSTLA-UHFFFAOYSA-N
XLogP2.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide
CID 116655319
N-(3-bromophenyl)-N-methylcarbamoyl bromide
CID 115193496
N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide
CID 115140581
N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140
N-methyl-N-(2-methylphenyl)morpholine-4-carboxamide
CID 116655392
N-(3-aminophenyl)-N-methylazepane-1-carboxamide
CID 79152179
N-(3-bromophenyl)-N-methylprop-2-ynamide
CID 130659155
N-(3-bromophenyl)-N,2,2-trimethylpropanamide
CID 172560742
N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936
3-[(3-bromophenyl)-methylcarbamoyl]benzoic acid
CID 115165495
N-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide
CID 96571011
2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115889708

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-methylmorpholine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-N-methylmorpholine-4-carboxamide (CID 66906368) is N-(3-bromophenyl)-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-N-methylmorpholine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-N-methylmorpholine-4-carboxamide is CN(C(=O)N1CCOCC1)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N-methylmorpholine-4-carboxamide?
The InChIKey is CSVIDKLBBMSTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-14(11-4-2-3-10(13)9-11)12(16)15-5-7-17-8-6-15/h2-4,9H,5-8H2,1H3.
What are the key properties of N-(3-bromophenyl)-N-methylmorpholine-4-carboxamide?
N-(3-bromophenyl)-N-methylmorpholine-4-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 66906368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).