2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide

C15H21BrN2O2 — CID 110364441

IUPAC2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
SMILESCCN(CC)C(=O)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C15H21BrN2O2/c1-3-17(4-2)15(19)18-8-9-20-14(11-18)12-6-5-7-13(16)10-12/h5-7,10,14H,3-4,8-9,11H2,1-2H3
InChIKeyAANDDEWFXYNKHF-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.28
Rot. Bonds3

About 2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide

2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide (PubChem CID 110364441) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
PubChem CID110364441
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
SMILESCCN(CC)C(=O)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C15H21BrN2O2/c1-3-17(4-2)15(19)18-8-9-20-14(11-18)12-6-5-7-13(16)10-12/h5-7,10,14H,3-4,8-9,11H2,1-2H3
InChIKeyAANDDEWFXYNKHF-UHFFFAOYSA-N
XLogP3.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99702196
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
N,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide
CID 110364135
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone
CID 119308192
[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364402
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119757086
[2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308183
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120667995
2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid
CID 124704474
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride
CID 120590693
1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119757105

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide (CID 110364441) is 2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide is CCN(CC)C(=O)N1CCOC(c2cccc(Br)c2)C1.
What is the InChIKey of 2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide?
The InChIKey is AANDDEWFXYNKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-3-17(4-2)15(19)18-8-9-20-14(11-18)12-6-5-7-13(16)10-12/h5-7,10,14H,3-4,8-9,11H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide?
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide is sourced from PubChem (CID 110364441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).