(2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide

C14H17BrN2O2 — CID 95313388

IUPAC(2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide
SMILESC=CCNC(=O)N1CCO[C@H](c2ccccc2Br)C1
InChIInChI=1S/C14H17BrN2O2/c1-2-7-16-14(18)17-8-9-19-13(10-17)11-5-3-4-6-12(11)15/h2-6,13H,1,7-10H2,(H,16,18)/t13-/m0/s1
InChIKeyVDLIVQWQXTWDJY-ZDUSSCGKSA-N
MW325.21 g/mol
LogP2.72
Rot. Bonds3

About (2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide

(2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide (PubChem CID 95313388) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is (2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide
PubChem CID95313388
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name(2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide
SMILESC=CCNC(=O)N1CCO[C@H](c2ccccc2Br)C1
InChIInChI=1S/C14H17BrN2O2/c1-2-7-16-14(18)17-8-9-19-13(10-17)11-5-3-4-6-12(11)15/h2-6,13H,1,7-10H2,(H,16,18)/t13-/m0/s1
InChIKeyVDLIVQWQXTWDJY-ZDUSSCGKSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one
CID 124591971
[(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone
CID 124571786
[(2R)-2-(2-bromophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124571795
(2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 93327899
2-(2-chlorophenyl)-N-(2-methylpropyl)morpholine-4-carboxamide
CID 110609422
(2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid
CID 124692219
methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate
CID 91653639
2-[(2S)-2-phenylmorpholin-4-yl]-N-prop-2-enylacetamide
CID 36732674
2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide
CID 95694316
(2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid
CID 99833548
[(2S)-2-(2-methylphenyl)morpholin-4-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone
CID 97236872
(2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 95326549

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide?
The IUPAC name of (2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide (CID 95313388) is (2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide?
The canonical SMILES for (2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide is C=CCNC(=O)N1CCO[C@H](c2ccccc2Br)C1.
What is the InChIKey of (2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide?
The InChIKey is VDLIVQWQXTWDJY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-2-7-16-14(18)17-8-9-19-13(10-17)11-5-3-4-6-12(11)15/h2-6,13H,1,7-10H2,(H,16,18)/t13-/m0/s1.
What are the key properties of (2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide?
(2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide has a molecular weight of 325.21 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide is sourced from PubChem (CID 95313388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).