3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

C11H12BrFN2O2 — CID 103706997

IUPAC3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H12BrFN2O2/c1-6(10(16)14-2)15-11(17)7-3-4-9(13)8(12)5-7/h3-6H,1-2H3,(H,14,16)(H,15,17)
InChIKeyWVJCVHAZEUFLAJ-UHFFFAOYSA-N
MW303.13 g/mol
LogP1.45
Rot. Bonds3

About 3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 103706997) has the molecular formula C11H12BrFN2O2 and a molecular weight of 303.13 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
PubChem CID103706997
Molecular FormulaC11H12BrFN2O2
Molecular Weight303.13 g/mol
Exact Mass302.01
IUPAC Name3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H12BrFN2O2/c1-6(10(16)14-2)15-11(17)7-3-4-9(13)8(12)5-7/h3-6H,1-2H3,(H,14,16)(H,15,17)
InChIKeyWVJCVHAZEUFLAJ-UHFFFAOYSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.13
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 62680619
2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide
CID 54950521
3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 103706387
3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103908193
3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 103710619
methyl (2S)-2-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbutanoate
CID 113246333
3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 107953084
3-bromo-N-(5-chloropentan-2-yl)-4-fluorobenzamide
CID 107956695
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
CID 103807055
3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide
CID 113244838
3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107953830
3-bromo-4-fluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
CID 99849695

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (CID 103706997) is 3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is CNC(=O)C(C)NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is WVJCVHAZEUFLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O2/c1-6(10(16)14-2)15-11(17)7-3-4-9(13)8(12)5-7/h3-6H,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 303.13 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 103706997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).