2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

C14H19BrN2O2 — CID 63679084

IUPAC2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CBr)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C14H19BrN2O2/c15-9-14(18)16-10-12-3-1-2-4-13(12)11-17-5-7-19-8-6-17/h1-4H,5-11H2,(H,16,18)
InChIKeyHOBQHYVTVBEDHY-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.53
Rot. Bonds5

About 2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 63679084) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID63679084
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CBr)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C14H19BrN2O2/c15-9-14(18)16-10-12-3-1-2-4-13(12)11-17-5-7-19-8-6-17/h1-4H,5-11H2,(H,16,18)
InChIKeyHOBQHYVTVBEDHY-UHFFFAOYSA-N
XLogP1.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60668732
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylmethoxyacetamide
CID 134015077
N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481147
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 47160584
2,2-dimethyl-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]propanamide
CID 31444039
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-naphthalen-1-ylpropanamide
CID 53278818
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylsulfanylpropanamide
CID 9481241
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
CID 60503666
2-(2-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 51207846
3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide
CID 31786572

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 63679084) is 2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is O=C(CBr)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of 2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is HOBQHYVTVBEDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-9-14(18)16-10-12-3-1-2-4-13(12)11-17-5-7-19-8-6-17/h1-4H,5-11H2,(H,16,18).
What are the key properties of 2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 327.22 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 63679084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).