4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide

C13H15BrF2N2O2 — CID 103747220

IUPAC4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H15BrF2N2O2/c1-7(12(19)17-2)6-18(3)13(20)11-9(15)4-8(14)5-10(11)16/h4-5,7H,6H2,1-3H3,(H,17,19)
InChIKeyUBVFLNKTYDWJIU-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.18
Rot. Bonds4

About 4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide

4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 103747220) has the molecular formula C13H15BrF2N2O2 and a molecular weight of 349.18 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
PubChem CID103747220
Molecular FormulaC13H15BrF2N2O2
Molecular Weight349.18 g/mol
Exact Mass348.03
IUPAC Name4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H15BrF2N2O2/c1-7(12(19)17-2)6-18(3)13(20)11-9(15)4-8(14)5-10(11)16/h4-5,7H,6H2,1-3H3,(H,17,19)
InChIKeyUBVFLNKTYDWJIU-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-difluoro-N-(3-methoxy-2-methylpropyl)-N-methylbenzamide
CID 75425528
3-[(3-bromo-5-fluorophenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 71980660
4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103722401
3-[(4-bromo-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103722519
4-fluoro-N,3-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103722238
(2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 124678709
4-bromo-1-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
CID 113248361
3,5-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913842
5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913822
2-methyl-3-[methyl-(2,3,5,6-tetrafluorobenzoyl)amino]propanoic acid
CID 119228036
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,4,6-trifluoro-N-methylbenzamide
CID 65098970
4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
CID 106915735

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide (CID 103747220) is 4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)C(C)CN(C)C(=O)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is UBVFLNKTYDWJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2O2/c1-7(12(19)17-2)6-18(3)13(20)11-9(15)4-8(14)5-10(11)16/h4-5,7H,6H2,1-3H3,(H,17,19).
What are the key properties of 4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 349.18 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 4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 103747220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).