N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropanamide

C15H21BrN2O2 — CID 91633974

IUPACN-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropanamide
SMILESCC(NC(=O)CCN1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-12(13-2-4-14(16)5-3-13)17-15(19)6-7-18-8-10-20-11-9-18/h2-5,12H,6-11H2,1H3,(H,17,19)
InChIKeyJCXMBLRJQKBNDD-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.35
Rot. Bonds5

About N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropanamide

N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropanamide (PubChem CID 91633974) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropanamide
PubChem CID91633974
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropanamide
SMILESCC(NC(=O)CCN1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-12(13-2-4-14(16)5-3-13)17-15(19)6-7-18-8-10-20-11-9-18/h2-5,12H,6-11H2,1H3,(H,17,19)
InChIKeyJCXMBLRJQKBNDD-UHFFFAOYSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropanamide (CID 91633974) is N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropanamide is CC(NC(=O)CCN1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropanamide?
The InChIKey is JCXMBLRJQKBNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-12(13-2-4-14(16)5-3-13)17-15(19)6-7-18-8-10-20-11-9-18/h2-5,12H,6-11H2,1H3,(H,17,19).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropanamide?
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropanamide has a molecular weight of 341.25 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 91633974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).