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

C13H17BrN2O2 — CID 94823361

IUPAC(2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide
SMILESC[C@H](C(N)=O)N1CCO[C@H](c2ccccc2Br)C1
InChIInChI=1S/C13H17BrN2O2/c1-9(13(15)17)16-6-7-18-12(8-16)10-4-2-3-5-11(10)14/h2-5,9,12H,6-8H2,1H3,(H2,15,17)/t9-,12+/m1/s1
InChIKeyWERUDRXWQJPLDN-SKDRFNHKSA-N
MW313.19 g/mol
LogP1.70
Rot. Bonds3

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

(2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide (PubChem CID 94823361) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is (2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide
PubChem CID94823361
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name(2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide
SMILESC[C@H](C(N)=O)N1CCO[C@H](c2ccccc2Br)C1
InChIInChI=1S/C13H17BrN2O2/c1-9(13(15)17)16-6-7-18-12(8-16)10-4-2-3-5-11(10)14/h2-5,9,12H,6-8H2,1H3,(H2,15,17)/t9-,12+/m1/s1
InChIKeyWERUDRXWQJPLDN-SKDRFNHKSA-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

(2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid
CID 124692219
(2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one
CID 124591971
2-[2-(3-bromophenyl)morpholin-4-yl]propanamide
CID 51102088
(2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid
CID 99833548
(2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide
CID 99103788
(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid
CID 125152344
2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide
CID 95694316
(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid
CID 125130202
(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide
CID 95317625
[(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone
CID 124571786
2-(2-bromophenyl)-4-propylmorpholine
CID 82184644
2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
CID 51130064

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide?
The IUPAC name of (2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide (CID 94823361) is (2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide.
What is the SMILES notation for (2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide?
The canonical SMILES for (2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide is C[C@H](C(N)=O)N1CCO[C@H](c2ccccc2Br)C1.
What is the InChIKey of (2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide?
The InChIKey is WERUDRXWQJPLDN-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-9(13(15)17)16-6-7-18-12(8-16)10-4-2-3-5-11(10)14/h2-5,9,12H,6-8H2,1H3,(H2,15,17)/t9-,12+/m1/s1.
What are the key properties of (2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide?
(2R)-2-[(2R)-2-(2-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 (2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 94823361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).