2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide

C13H19BrN2O2 — CID 82969371

IUPAC2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cc(Br)ccc1C(C)O
InChIInChI=1S/C13H19BrN2O2/c1-4-16(8-13(18)15-3)12-7-10(14)5-6-11(12)9(2)17/h5-7,9,17H,4,8H2,1-3H3,(H,15,18)
InChIKeyRRZSXQIJNXWGCC-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.07
Rot. Bonds5

About 2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide

2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide (PubChem CID 82969371) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide
PubChem CID82969371
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cc(Br)ccc1C(C)O
InChIInChI=1S/C13H19BrN2O2/c1-4-16(8-13(18)15-3)12-7-10(14)5-6-11(12)9(2)17/h5-7,9,17H,4,8H2,1-3H3,(H,15,18)
InChIKeyRRZSXQIJNXWGCC-UHFFFAOYSA-N
XLogP2.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 63371338
2-[2-bromo-N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940265
3-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]propanenitrile
CID 82970933
2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940268
2-[N-ethyl-2-fluoro-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940251
1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol
CID 82971146
5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
CID 82971768
2-(5-bromo-2-formyl-N-propylanilino)-N-methylacetamide
CID 54984775
1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol
CID 82969724
1-[5-bromo-2-[ethyl(prop-2-ynyl)amino]phenyl]ethanol
CID 82970518
4-bromo-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]benzoic acid
CID 43375083
2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide
CID 43375159

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide?
The IUPAC name of 2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide (CID 82969371) is 2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide.
What is the SMILES notation for 2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide?
The canonical SMILES for 2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide is CCN(CC(=O)NC)c1cc(Br)ccc1C(C)O.
What is the InChIKey of 2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide?
The InChIKey is RRZSXQIJNXWGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-4-16(8-13(18)15-3)12-7-10(14)5-6-11(12)9(2)17/h5-7,9,17H,4,8H2,1-3H3,(H,15,18).
What are the key properties of 2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide?
2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide has a molecular weight of 315.21 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide is sourced from PubChem (CID 82969371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).