5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide

C12H14BrFN2O3 — CID 113219434

IUPAC5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
SMILESCOCCNC(=O)CNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C12H14BrFN2O3/c1-19-5-4-15-11(17)7-16-12(18)9-6-8(13)2-3-10(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,17)(H,16,18)
InChIKeySQPGQUYNNULSKC-UHFFFAOYSA-N
MW333.16 g/mol
LogP1.08
Rot. Bonds6

About 5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide

5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide (PubChem CID 113219434) has the molecular formula C12H14BrFN2O3 and a molecular weight of 333.16 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
PubChem CID113219434
Molecular FormulaC12H14BrFN2O3
Molecular Weight333.16 g/mol
Exact Mass332.02
IUPAC Name5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
SMILESCOCCNC(=O)CNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C12H14BrFN2O3/c1-19-5-4-15-11(17)7-16-12(18)9-6-8(13)2-3-10(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,17)(H,16,18)
InChIKeySQPGQUYNNULSKC-UHFFFAOYSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 103941343
N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
CID 9296512
2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate
CID 139467608
4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide
CID 112689546
4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115577293
5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102698343
5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 65306800
5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359
4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328809
4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
CID 43090254
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
CID 43553754

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide (CID 113219434) is 5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide is COCCNC(=O)CNC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
The InChIKey is SQPGQUYNNULSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O3/c1-19-5-4-15-11(17)7-16-12(18)9-6-8(13)2-3-10(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide has a molecular weight of 333.16 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 113219434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).