2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C13H16BrFN2O2 — CID 31750922

IUPAC2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)CN(C)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H16BrFN2O2/c1-8(2)16-12(18)7-17(3)13(19)10-5-4-9(15)6-11(10)14/h4-6,8H,7H2,1-3H3,(H,16,18)
InChIKeyAHQGBOSDOQVRAH-UHFFFAOYSA-N
MW331.19 g/mol
LogP2.18
Rot. Bonds4

About 2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 31750922) has the molecular formula C13H16BrFN2O2 and a molecular weight of 331.19 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID31750922
Molecular FormulaC13H16BrFN2O2
Molecular Weight331.19 g/mol
Exact Mass330.04
IUPAC Name2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)CN(C)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H16BrFN2O2/c1-8(2)16-12(18)7-17(3)13(19)10-5-4-9(15)6-11(10)14/h4-6,8H,7H2,1-3H3,(H,16,18)
InChIKeyAHQGBOSDOQVRAH-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] 2-bromo-4-fluorobenzoate
CID 8837373
2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43216100
3-bromo-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 113361108
4,5-dibromo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 40727971
2-bromo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 103753987
4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61139557
3,4,5-trifluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 63188876
4-fluoro-2-hydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 113304528
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide
CID 81055309
2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61380894
2-bromo-N-(2-chloro-3-methoxypropyl)-4-fluoro-N-methylbenzamide
CID 55186683
2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156874

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 31750922) is 2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is CC(C)NC(=O)CN(C)C(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is AHQGBOSDOQVRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2/c1-8(2)16-12(18)7-17(3)13(19)10-5-4-9(15)6-11(10)14/h4-6,8H,7H2,1-3H3,(H,16,18).
What are the key properties of 2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 331.19 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 31750922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).