3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide

C11H14BrN3O3 — CID 106233317

IUPAC3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide
SMILESNC(=O)COCCNC(=O)c1cc(N)cc(Br)c1
InChIInChI=1S/C11H14BrN3O3/c12-8-3-7(4-9(13)5-8)11(17)15-1-2-18-6-10(14)16/h3-5H,1-2,6,13H2,(H2,14,16)(H,15,17)
InChIKeyBURVHTDOZVSBCP-UHFFFAOYSA-N
MW316.16 g/mol
LogP0.26
Rot. Bonds6

About 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide

3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide (PubChem CID 106233317) has the molecular formula C11H14BrN3O3 and a molecular weight of 316.16 g/mol. Its IUPAC name is 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide
PubChem CID106233317
Molecular FormulaC11H14BrN3O3
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC Name3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide
SMILESNC(=O)COCCNC(=O)c1cc(N)cc(Br)c1
InChIInChI=1S/C11H14BrN3O3/c12-8-3-7(4-9(13)5-8)11(17)15-1-2-18-6-10(14)16/h3-5H,1-2,6,13H2,(H2,14,16)(H,15,17)
InChIKeyBURVHTDOZVSBCP-UHFFFAOYSA-N
XLogP0.26
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-N-(3-propoxypropyl)benzamide
CID 82949916
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
CID 103873774
3-amino-5-bromo-N-(4-hydroxybutyl)benzamide
CID 106840118
1-(3-amino-5-bromophenyl)-2-propoxyethanone
CID 116597183
3,5-diamino-N-propylbenzamide
CID 20701636
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide
CID 103819837
N-[2-(4-aminophenoxy)ethyl]-3,5-dibromobenzamide
CID 107971002
3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid
CID 114162738
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzamide
CID 106233435
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-2-methoxybenzamide
CID 113268416
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 104852583

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide?
The IUPAC name of 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide (CID 106233317) is 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide.
What is the SMILES notation for 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide?
The canonical SMILES for 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide is NC(=O)COCCNC(=O)c1cc(N)cc(Br)c1.
What is the InChIKey of 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide?
The InChIKey is BURVHTDOZVSBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3/c12-8-3-7(4-9(13)5-8)11(17)15-1-2-18-6-10(14)16/h3-5H,1-2,6,13H2,(H2,14,16)(H,15,17).
What are the key properties of 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide?
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide has a molecular weight of 316.16 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide is sourced from PubChem (CID 106233317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).