5-bromo-4-fluoro-2-(4-fluoro-1-methylpyrazol-3-yl)-N,N-dimethylbenzamide

C13H12BrF2N3O — CID 175890585

IUPAC5-bromo-4-fluoro-2-(4-fluoro-1-methylpyrazol-3-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(Br)c(F)cc1-c1nn(C)cc1F
InChIInChI=1S/C13H12BrF2N3O/c1-18(2)13(20)8-4-9(14)10(15)5-7(8)12-11(16)6-19(3)17-12/h4-6H,1-3H3
InChIKeyHSDLAYQCLKEPGC-UHFFFAOYSA-N
MW344.16 g/mol
LogP2.83
Rot. Bonds2

About 5-bromo-4-fluoro-2-(4-fluoro-1-methylpyrazol-3-yl)-N,N-dimethylbenzamide

5-bromo-4-fluoro-2-(4-fluoro-1-methylpyrazol-3-yl)-N,N-dimethylbenzamide (PubChem CID 175890585) has the molecular formula C13H12BrF2N3O and a molecular weight of 344.16 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-(4-fluoro-1-methylpyrazol-3-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-(4-fluoro-1-methylpyrazol-3-yl)-N,N-dimethylbenzamide
PubChem CID175890585
Molecular FormulaC13H12BrF2N3O
Molecular Weight344.16 g/mol
Exact Mass343.01
IUPAC Name5-bromo-4-fluoro-2-(4-fluoro-1-methylpyrazol-3-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(Br)c(F)cc1-c1nn(C)cc1F
InChIInChI=1S/C13H12BrF2N3O/c1-18(2)13(20)8-4-9(14)10(15)5-7(8)12-11(16)6-19(3)17-12/h4-6H,1-3H3
InChIKeyHSDLAYQCLKEPGC-UHFFFAOYSA-N
XLogP2.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-fluoro-N,N,4-trimethylbenzamide
CID 146171178
2-bromo-5-chloro-N,N-dimethylbenzamide
CID 78851053
4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide
CID 154676898
3-bromo-4-fluoro-1-methylpyrazole
CID 131506344
1-(2,5-dibromo-4-fluorophenyl)ethanone
CID 119017691
N'-(4-bromobenzoyl)-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbohydrazide
CID 86947969
N-[2-(4-bromoanilino)-2-oxoethyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86948212
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
5-bromo-2-fluorobenzoic acid;5-bromo-2-fluoro-N,N-dimethylbenzamide
CID 158616981
3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide
CID 155666927
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86949153
5-bromo-2-chloro-4-fluorobenzoyl chloride
CID 89086385

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-(4-fluoro-1-methylpyrazol-3-yl)-N,N-dimethylbenzamide?
The IUPAC name of 5-bromo-4-fluoro-2-(4-fluoro-1-methylpyrazol-3-yl)-N,N-dimethylbenzamide (CID 175890585) is 5-bromo-4-fluoro-2-(4-fluoro-1-methylpyrazol-3-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 5-bromo-4-fluoro-2-(4-fluoro-1-methylpyrazol-3-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 5-bromo-4-fluoro-2-(4-fluoro-1-methylpyrazol-3-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(Br)c(F)cc1-c1nn(C)cc1F.
What is the InChIKey of 5-bromo-4-fluoro-2-(4-fluoro-1-methylpyrazol-3-yl)-N,N-dimethylbenzamide?
The InChIKey is HSDLAYQCLKEPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N3O/c1-18(2)13(20)8-4-9(14)10(15)5-7(8)12-11(16)6-19(3)17-12/h4-6H,1-3H3.
What are the key properties of 5-bromo-4-fluoro-2-(4-fluoro-1-methylpyrazol-3-yl)-N,N-dimethylbenzamide?
5-bromo-4-fluoro-2-(4-fluoro-1-methylpyrazol-3-yl)-N,N-dimethylbenzamide has a molecular weight of 344.16 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-(4-fluoro-1-methylpyrazol-3-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 175890585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).