2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide

C10H12BrN3O2 — CID 79714359

IUPAC2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C10H12BrN3O2/c1-13-9(15)5-14-10(16)7-3-2-6(11)4-8(7)12/h2-4H,5,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyRGHKTPBWJUDKBQ-UHFFFAOYSA-N
MW286.13 g/mol
LogP0.51
Rot. Bonds3

About 2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide

2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 79714359) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID79714359
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C10H12BrN3O2/c1-13-9(15)5-14-10(16)7-3-2-6(11)4-8(7)12/h2-4H,5,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyRGHKTPBWJUDKBQ-UHFFFAOYSA-N
XLogP0.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 47435886
5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 65306886
4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 78987486
2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251
2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310299
2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 120994241
2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 79719377
2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide
CID 79723461
2-amino-4-bromo-N-(2-hydroxypentyl)benzamide
CID 113495833
2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 18106416
3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310303
2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide
CID 79714993

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 79714359) is 2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CNC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is RGHKTPBWJUDKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c1-13-9(15)5-14-10(16)7-3-2-6(11)4-8(7)12/h2-4H,5,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide?
2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 286.13 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 79714359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).