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

C11H12BrFN2O2 — CID 43216100

IUPAC2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(C)C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H12BrFN2O2/c1-14-10(16)6-15(2)11(17)8-5-7(13)3-4-9(8)12/h3-5H,6H2,1-2H3,(H,14,16)
InChIKeyUPNFULFKQLAFPD-UHFFFAOYSA-N
MW303.13 g/mol
LogP1.41
Rot. Bonds3

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

2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 43216100) has the molecular formula C11H12BrFN2O2 and a molecular weight of 303.13 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID43216100
Molecular FormulaC11H12BrFN2O2
Molecular Weight303.13 g/mol
Exact Mass302.01
IUPAC Name2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(C)C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H12BrFN2O2/c1-14-10(16)6-15(2)11(17)8-5-7(13)3-4-9(8)12/h3-5H,6H2,1-2H3,(H,14,16)
InChIKeyUPNFULFKQLAFPD-UHFFFAOYSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.13
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-hydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 113304528
N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide
CID 62686241
2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 31750922
2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43296128
2-bromo-5-fluoro-N',N'-dimethylbenzohydrazide
CID 9180913
2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
CID 60736552
2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680875
2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113363621
2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide
CID 61026430
2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 114370914
2-[(2,5-dibromobenzoyl)-methylamino]acetic acid
CID 114367825
2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 60955626

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 43216100) is 2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CN(C)C(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is UPNFULFKQLAFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O2/c1-14-10(16)6-15(2)11(17)8-5-7(13)3-4-9(8)12/h3-5H,6H2,1-2H3,(H,14,16).
What are the key properties of 2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 303.13 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 43216100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).