N-(3-bromophenyl)-3-morpholin-4-ylpropanamide

C13H17BrN2O2 — CID 567841

IUPACN-(3-bromophenyl)-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1cccc(Br)c1
InChIInChI=1S/C13H17BrN2O2/c14-11-2-1-3-12(10-11)15-13(17)4-5-16-6-8-18-9-7-16/h1-3,10H,4-9H2,(H,15,17)
InChIKeyMXIVEHFJKNUDOK-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.11
Rot. Bonds4

About N-(3-bromophenyl)-3-morpholin-4-ylpropanamide

N-(3-bromophenyl)-3-morpholin-4-ylpropanamide (PubChem CID 567841) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-morpholin-4-ylpropanamide
PubChem CID567841
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-(3-bromophenyl)-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1cccc(Br)c1
InChIInChI=1S/C13H17BrN2O2/c14-11-2-1-3-12(10-11)15-13(17)4-5-16-6-8-18-9-7-16/h1-3,10H,4-9H2,(H,15,17)
InChIKeyMXIVEHFJKNUDOK-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(3-bromophenyl)-3-morpholin-4-ylpropanamide (CID 567841) is N-(3-bromophenyl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(3-bromophenyl)-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-morpholin-4-ylpropanamide?
The InChIKey is MXIVEHFJKNUDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-11-2-1-3-12(10-11)15-13(17)4-5-16-6-8-18-9-7-16/h1-3,10H,4-9H2,(H,15,17).
What are the key properties of N-(3-bromophenyl)-3-morpholin-4-ylpropanamide?
N-(3-bromophenyl)-3-morpholin-4-ylpropanamide has a molecular weight of 313.19 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 567841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).