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

C14H18BrN3O3 — CID 52505045

IUPAC3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
SMILESNC(=O)NC(=O)CCN1CCO[C@@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C14H18BrN3O3/c15-11-3-1-10(2-4-11)12-9-18(7-8-21-12)6-5-13(19)17-14(16)20/h1-4,12H,5-9H2,(H3,16,17,19,20)/t12-/m1/s1
InChIKeyDFNTWCDMOPKJCH-GFCCVEGCSA-N
MW356.22 g/mol
LogP1.41
Rot. Bonds4

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

3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide (PubChem CID 52505045) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide.

Molecular Properties

Compound Name3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
PubChem CID52505045
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
SMILESNC(=O)NC(=O)CCN1CCO[C@@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C14H18BrN3O3/c15-11-3-1-10(2-4-11)12-9-18(7-8-21-12)6-5-13(19)17-14(16)20/h1-4,12H,5-9H2,(H3,16,17,19,20)/t12-/m1/s1
InChIKeyDFNTWCDMOPKJCH-GFCCVEGCSA-N
XLogP1.41
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one
CID 10766089
2-[2-(4-bromophenyl)morpholin-4-yl]acetamide
CID 47410373
1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone
CID 71937098
(2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine
CID 94200141
3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide
CID 124573621
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
CID 51965045
2-[3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
CID 51965044
N-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide
CID 75502042
N-(2-fluorophenyl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 43065711
4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892637
N-(2-fluorophenyl)-3-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 30891589

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide?
The IUPAC name of 3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide (CID 52505045) is 3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide.
What is the SMILES notation for 3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide?
The canonical SMILES for 3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide is NC(=O)NC(=O)CCN1CCO[C@@H](c2ccc(Br)cc2)C1.
What is the InChIKey of 3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide?
The InChIKey is DFNTWCDMOPKJCH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c15-11-3-1-10(2-4-11)12-9-18(7-8-21-12)6-5-13(19)17-14(16)20/h1-4,12H,5-9H2,(H3,16,17,19,20)/t12-/m1/s1.
What are the key properties of 3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide?
3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide has a molecular weight of 356.22 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide is sourced from PubChem (CID 52505045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).