2-(2-amino-2-ethylbutoxy)-6-bromobenzamide

C13H19BrN2O2 — CID 114887735

IUPAC2-(2-amino-2-ethylbutoxy)-6-bromobenzamide
SMILESCCC(N)(CC)COc1cccc(Br)c1C(N)=O
InChIInChI=1S/C13H19BrN2O2/c1-3-13(16,4-2)8-18-10-7-5-6-9(14)11(10)12(15)17/h5-7H,3-4,8,16H2,1-2H3,(H2,15,17)
InChIKeyHNBLHEMPHDMEEV-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.44
Rot. Bonds6

About 2-(2-amino-2-ethylbutoxy)-6-bromobenzamide

2-(2-amino-2-ethylbutoxy)-6-bromobenzamide (PubChem CID 114887735) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-(2-amino-2-ethylbutoxy)-6-bromobenzamide.

Molecular Properties

Compound Name2-(2-amino-2-ethylbutoxy)-6-bromobenzamide
PubChem CID114887735
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-(2-amino-2-ethylbutoxy)-6-bromobenzamide
SMILESCCC(N)(CC)COc1cccc(Br)c1C(N)=O
InChIInChI=1S/C13H19BrN2O2/c1-3-13(16,4-2)8-18-10-7-5-6-9(14)11(10)12(15)17/h5-7H,3-4,8,16H2,1-2H3,(H2,15,17)
InChIKeyHNBLHEMPHDMEEV-UHFFFAOYSA-N
XLogP2.44
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-(piperidin-2-ylmethoxy)benzamide
CID 114887724
2-(2-aminocyclohexyl)oxy-6-bromobenzamide
CID 114887759
2-bromo-6-(2-ethoxyethoxy)benzoic acid
CID 114888580
2-ethyl-6-(iodomethoxy)benzamide
CID 70653912
2-bromo-6-octoxybenzenecarboximidamide
CID 114884017
2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide
CID 114883471
(3-bromo-2-tert-butylphenyl) carbamate
CID 153406266
2-(3-bromo-2-carbamoyl-N-propylanilino)acetic acid
CID 114880081
2-bromo-6-(2-methylpentoxy)benzoic acid
CID 103285847
2-(3-bromo-2-carbamoyl-N-ethylanilino)-2-methylpropanoic acid
CID 114880146
2-bromo-6-(3-methoxypropoxy)benzenecarbothioamide
CID 114882920
3-[[5-bromo-2-(trifluoromethyl)phenoxy]methyl]pentan-3-amine
CID 107289936

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-ethylbutoxy)-6-bromobenzamide?
The IUPAC name of 2-(2-amino-2-ethylbutoxy)-6-bromobenzamide (CID 114887735) is 2-(2-amino-2-ethylbutoxy)-6-bromobenzamide.
What is the SMILES notation for 2-(2-amino-2-ethylbutoxy)-6-bromobenzamide?
The canonical SMILES for 2-(2-amino-2-ethylbutoxy)-6-bromobenzamide is CCC(N)(CC)COc1cccc(Br)c1C(N)=O.
What is the InChIKey of 2-(2-amino-2-ethylbutoxy)-6-bromobenzamide?
The InChIKey is HNBLHEMPHDMEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-3-13(16,4-2)8-18-10-7-5-6-9(14)11(10)12(15)17/h5-7H,3-4,8,16H2,1-2H3,(H2,15,17).
What are the key properties of 2-(2-amino-2-ethylbutoxy)-6-bromobenzamide?
2-(2-amino-2-ethylbutoxy)-6-bromobenzamide has a molecular weight of 315.21 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-ethylbutoxy)-6-bromobenzamide is sourced from PubChem (CID 114887735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).