N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide

C9H8BrFN2O2 — CID 9296512

IUPACN-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
SMILESNC(=O)CNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C9H8BrFN2O2/c10-5-1-2-7(11)6(3-5)9(15)13-4-8(12)14/h1-3H,4H2,(H2,12,14)(H,13,15)
InChIKeyRZXBADZGNJPJEB-UHFFFAOYSA-N
MW275.08 g/mol
LogP0.80
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide

N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide (PubChem CID 9296512) has the molecular formula C9H8BrFN2O2 and a molecular weight of 275.08 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
PubChem CID9296512
Molecular FormulaC9H8BrFN2O2
Molecular Weight275.08 g/mol
Exact Mass273.98
IUPAC NameN-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
SMILESNC(=O)CNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C9H8BrFN2O2/c10-5-1-2-7(11)6(3-5)9(15)13-4-8(12)14/h1-3H,4H2,(H2,12,14)(H,13,15)
InChIKeyRZXBADZGNJPJEB-UHFFFAOYSA-N
XLogP0.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.08
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
CID 43553754
N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide
CID 62511254
N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide
CID 76953114
5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 113219434
N-(4-amino-4-hydroxyiminobutyl)-5-bromo-2-fluorobenzamide
CID 76947494
2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate
CID 139467608
5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 24691608
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide
CID 107233860
3-[(5-bromo-2-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62677096
5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide
CID 64597105
5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175364
5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide
CID 120827060

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide (CID 9296512) is N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide is NC(=O)CNC(=O)c1cc(Br)ccc1F.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide?
The InChIKey is RZXBADZGNJPJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2O2/c10-5-1-2-7(11)6(3-5)9(15)13-4-8(12)14/h1-3H,4H2,(H2,12,14)(H,13,15).
What are the key properties of N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide?
N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide has a molecular weight of 275.08 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide is sourced from PubChem (CID 9296512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).