N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide

C9H5BrF5NO — CID 532144

IUPACN-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(Nc1ccc(Br)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5BrF5NO/c10-5-1-3-6(4-2-5)16-7(17)8(11,12)9(13,14)15/h1-4H,(H,16,17)
InChIKeyHMVKHSRRVVVGNF-UHFFFAOYSA-N
MW318.04 g/mol
LogP3.59
Rot. Bonds2

About N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide

N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide (PubChem CID 532144) has the molecular formula C9H5BrF5NO and a molecular weight of 318.04 g/mol. Its IUPAC name is N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide
PubChem CID532144
Molecular FormulaC9H5BrF5NO
Molecular Weight318.04 g/mol
Exact Mass316.95
IUPAC NameN-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(Nc1ccc(Br)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5BrF5NO/c10-5-1-3-6(4-2-5)16-7(17)8(11,12)9(13,14)15/h1-4H,(H,16,17)
InChIKeyHMVKHSRRVVVGNF-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.04
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide
CID 532140
4-(2,2,3,3,3-pentafluoropropanoylamino)benzoic acid
CID 6612355
N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 114037844
2,2,3,3,3-pentafluoro-N-(4-sulfamoylphenyl)propanamide
CID 91742405
N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 14274634
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
N-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 114038120
2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide
CID 17071374
N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967157
2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
CID 9556
(4-bromophenyl)urea
CID 16074
1-(4-bromophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 71672109

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide (CID 532144) is N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide is O=C(Nc1ccc(Br)cc1)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is HMVKHSRRVVVGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF5NO/c10-5-1-3-6(4-2-5)16-7(17)8(11,12)9(13,14)15/h1-4H,(H,16,17).
What are the key properties of N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide?
N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 318.04 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 532144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).