3-(4-bromophenyl)-2-fluoro-N,N-dimethylpropanamide

C11H13BrFNO — CID 135391112

IUPAC3-(4-bromophenyl)-2-fluoro-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(F)Cc1ccc(Br)cc1
InChIInChI=1S/C11H13BrFNO/c1-14(2)11(15)10(13)7-8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3
InChIKeyRIARORHHPSWRSU-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.42
Rot. Bonds3

About 3-(4-bromophenyl)-2-fluoro-N,N-dimethylpropanamide

3-(4-bromophenyl)-2-fluoro-N,N-dimethylpropanamide (PubChem CID 135391112) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-fluoro-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-fluoro-N,N-dimethylpropanamide
PubChem CID135391112
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name3-(4-bromophenyl)-2-fluoro-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(F)Cc1ccc(Br)cc1
InChIInChI=1S/C11H13BrFNO/c1-14(2)11(15)10(13)7-8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3
InChIKeyRIARORHHPSWRSU-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-fluoro-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-bromophenyl)-2-fluoro-N,N-dimethylpropanamide (CID 135391112) is 3-(4-bromophenyl)-2-fluoro-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-bromophenyl)-2-fluoro-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-bromophenyl)-2-fluoro-N,N-dimethylpropanamide is CN(C)C(=O)C(F)Cc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-fluoro-N,N-dimethylpropanamide?
The InChIKey is RIARORHHPSWRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-14(2)11(15)10(13)7-8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-2-fluoro-N,N-dimethylpropanamide?
3-(4-bromophenyl)-2-fluoro-N,N-dimethylpropanamide has a molecular weight of 274.13 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-fluoro-N,N-dimethylpropanamide is sourced from PubChem (CID 135391112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).