N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide

C16H16BrFN2O3S — CID 132664773

IUPACN-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)Nc1cccc(Br)c1)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C16H16BrFN2O3S/c1-11(16(21)19-14-7-3-5-12(17)9-14)20(24(2,22)23)15-8-4-6-13(18)10-15/h3-11H,1-2H3,(H,19,21)
InChIKeyHQVGIODTKDJAKR-UHFFFAOYSA-N
MW415.28 g/mol
LogP3.38
Rot. Bonds5

About N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide

N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 132664773) has the molecular formula C16H16BrFN2O3S and a molecular weight of 415.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID132664773
Molecular FormulaC16H16BrFN2O3S
Molecular Weight415.28 g/mol
Exact Mass414.00
IUPAC NameN-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)Nc1cccc(Br)c1)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C16H16BrFN2O3S/c1-11(16(21)19-14-7-3-5-12(17)9-14)20(24(2,22)23)15-8-4-6-13(18)10-15/h3-11H,1-2H3,(H,19,21)
InChIKeyHQVGIODTKDJAKR-UHFFFAOYSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 53288513
methyl 3-[[(2S)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 99132598
N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662529
N-(3,5-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662531
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 99131905
(2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 1265285
(2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132717
(2R)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132716
(2S)-N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1100075
(2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132583
N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288098
2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 132656825

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide (CID 132664773) is N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide is CC(C(=O)Nc1cccc(Br)c1)N(c1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is HQVGIODTKDJAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O3S/c1-11(16(21)19-14-7-3-5-12(17)9-14)20(24(2,22)23)15-8-4-6-13(18)10-15/h3-11H,1-2H3,(H,19,21).
What are the key properties of N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 415.28 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132664773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).