2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide

C14H19BrN2O3 — CID 47100694

IUPAC2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(COc1cccc(Br)c1)NCCN1CCOCC1
InChIInChI=1S/C14H19BrN2O3/c15-12-2-1-3-13(10-12)20-11-14(18)16-4-5-17-6-8-19-9-7-17/h1-3,10H,4-9,11H2,(H,16,18)
InChIKeyIDVJJCLLWVZBBH-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.28
Rot. Bonds6

About 2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide

2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 47100694) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID47100694
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(COc1cccc(Br)c1)NCCN1CCOCC1
InChIInChI=1S/C14H19BrN2O3/c15-12-2-1-3-13(10-12)20-11-14(18)16-4-5-17-6-8-19-9-7-17/h1-3,10H,4-9,11H2,(H,16,18)
InChIKeyIDVJJCLLWVZBBH-UHFFFAOYSA-N
XLogP1.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 888119
2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 51159372
2-(2-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 112977303
2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 78803811
2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 134002654
2-(2,6-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 18892490
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992
2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502782
2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 86978269
N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide
CID 30764659
2-(3-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 34999063

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide (CID 47100694) is 2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide is O=C(COc1cccc(Br)c1)NCCN1CCOCC1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is IDVJJCLLWVZBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c15-12-2-1-3-13(10-12)20-11-14(18)16-4-5-17-6-8-19-9-7-17/h1-3,10H,4-9,11H2,(H,16,18).
What are the key properties of 2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 343.22 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 47100694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).