2-[2-(3-bromophenyl)morpholin-4-yl]propanamide

C13H17BrN2O2 — CID 51102088

IUPAC2-[2-(3-bromophenyl)morpholin-4-yl]propanamide
SMILESCC(C(N)=O)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C13H17BrN2O2/c1-9(13(15)17)16-5-6-18-12(8-16)10-3-2-4-11(14)7-10/h2-4,7,9,12H,5-6,8H2,1H3,(H2,15,17)
InChIKeyHFINPXRMAWWZBB-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.70
Rot. Bonds3

About 2-[2-(3-bromophenyl)morpholin-4-yl]propanamide

2-[2-(3-bromophenyl)morpholin-4-yl]propanamide (PubChem CID 51102088) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)morpholin-4-yl]propanamide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)morpholin-4-yl]propanamide
PubChem CID51102088
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-[2-(3-bromophenyl)morpholin-4-yl]propanamide
SMILESCC(C(N)=O)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C13H17BrN2O2/c1-9(13(15)17)16-5-6-18-12(8-16)10-3-2-4-11(14)7-10/h2-4,7,9,12H,5-6,8H2,1H3,(H2,15,17)
InChIKeyHFINPXRMAWWZBB-UHFFFAOYSA-N
XLogP1.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
CID 51130064
(2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide
CID 94823361
(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99702196
2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid
CID 124704474
2-(3-bromophenyl)-4-methylmorpholine
CID 82184638
(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid
CID 125130202
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
(2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124692216
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120667995
2-(3-bromophenyl)-4-methylsulfonylmorpholine
CID 110364445
(2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide
CID 99103788

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)morpholin-4-yl]propanamide?
The IUPAC name of 2-[2-(3-bromophenyl)morpholin-4-yl]propanamide (CID 51102088) is 2-[2-(3-bromophenyl)morpholin-4-yl]propanamide.
What is the SMILES notation for 2-[2-(3-bromophenyl)morpholin-4-yl]propanamide?
The canonical SMILES for 2-[2-(3-bromophenyl)morpholin-4-yl]propanamide is CC(C(N)=O)N1CCOC(c2cccc(Br)c2)C1.
What is the InChIKey of 2-[2-(3-bromophenyl)morpholin-4-yl]propanamide?
The InChIKey is HFINPXRMAWWZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-9(13(15)17)16-5-6-18-12(8-16)10-3-2-4-11(14)7-10/h2-4,7,9,12H,5-6,8H2,1H3,(H2,15,17).
What are the key properties of 2-[2-(3-bromophenyl)morpholin-4-yl]propanamide?
2-[2-(3-bromophenyl)morpholin-4-yl]propanamide has a molecular weight of 313.19 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 51102088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).