N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide

C13H18BrN3O2 — CID 119833776

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(Br)ccc1N1CCOCC1
InChIInChI=1S/C13H18BrN3O2/c1-15-9-13(18)16-11-8-10(14)2-3-12(11)17-4-6-19-7-5-17/h2-3,8,15H,4-7,9H2,1H3,(H,16,18)
InChIKeyLMLZSVWNHCZBDQ-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.44
Rot. Bonds4

About N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide

N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide (PubChem CID 119833776) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide
PubChem CID119833776
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(Br)ccc1N1CCOCC1
InChIInChI=1S/C13H18BrN3O2/c1-15-9-13(18)16-11-8-10(14)2-3-12(11)17-4-6-19-7-5-17/h2-3,8,15H,4-7,9H2,1H3,(H,16,18)
InChIKeyLMLZSVWNHCZBDQ-UHFFFAOYSA-N
XLogP1.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
CID 86797592
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(4-fluorophenyl)acetamide
CID 55363743
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(3-methoxyphenyl)acetamide
CID 55363801
N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide
CID 26439639
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47109483
2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride
CID 119833777
N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 119833790
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 46813553
N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134061927
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
N-(5-bromo-2-morpholin-4-ylphenyl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 55520553
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide
CID 55394956

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide (CID 119833776) is N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide is CNCC(=O)Nc1cc(Br)ccc1N1CCOCC1.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide?
The InChIKey is LMLZSVWNHCZBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-15-9-13(18)16-11-8-10(14)2-3-12(11)17-4-6-19-7-5-17/h2-3,8,15H,4-7,9H2,1H3,(H,16,18).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide?
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide has a molecular weight of 328.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide is sourced from PubChem (CID 119833776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).