2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide

C14H18BrN3O3 — CID 51130064

IUPAC2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
SMILESCC(C(=O)NC(N)=O)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C14H18BrN3O3/c1-9(13(19)17-14(16)20)18-5-6-21-12(8-18)10-3-2-4-11(15)7-10/h2-4,7,9,12H,5-6,8H2,1H3,(H3,16,17,19,20)
InChIKeyMKMUNYFQXAXXFH-UHFFFAOYSA-N
MW356.22 g/mol
LogP1.41
Rot. Bonds3

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

2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide (PubChem CID 51130064) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
PubChem CID51130064
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
SMILESCC(C(=O)NC(N)=O)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C14H18BrN3O3/c1-9(13(19)17-14(16)20)18-5-6-21-12(8-18)10-3-2-4-11(15)7-10/h2-4,7,9,12H,5-6,8H2,1H3,(H3,16,17,19,20)
InChIKeyMKMUNYFQXAXXFH-UHFFFAOYSA-N
XLogP1.41
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-bromophenyl)morpholin-4-yl]propanamide
CID 51102088
(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
(2R)-N-carbamoyl-2-[(2S)-2-ethylmorpholin-4-yl]propanamide
CID 98752361
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-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide
CID 94823361

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide?
The IUPAC name of 2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide (CID 51130064) is 2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide.
What is the SMILES notation for 2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide?
The canonical SMILES for 2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide is CC(C(=O)NC(N)=O)N1CCOC(c2cccc(Br)c2)C1.
What is the InChIKey of 2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide?
The InChIKey is MKMUNYFQXAXXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c1-9(13(19)17-14(16)20)18-5-6-21-12(8-18)10-3-2-4-11(15)7-10/h2-4,7,9,12H,5-6,8H2,1H3,(H3,16,17,19,20).
What are the key properties of 2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide?
2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide has a molecular weight of 356.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide is sourced from PubChem (CID 51130064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).