N-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide

C9H4BrF5N2O3 — CID 15402155

IUPACN-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H4BrF5N2O3/c10-5-3-4(17(19)20)1-2-6(5)16-7(18)8(11,12)9(13,14)15/h1-3H,(H,16,18)
InChIKeyPBXUXHUNALFWEV-UHFFFAOYSA-N
MW363.04 g/mol
LogP3.49
Rot. Bonds3

About N-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide

N-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide (PubChem CID 15402155) has the molecular formula C9H4BrF5N2O3 and a molecular weight of 363.04 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide
PubChem CID15402155
Molecular FormulaC9H4BrF5N2O3
Molecular Weight363.04 g/mol
Exact Mass361.93
IUPAC NameN-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H4BrF5N2O3/c10-5-3-4(17(19)20)1-2-6(5)16-7(18)8(11,12)9(13,14)15/h1-3H,(H,16,18)
InChIKeyPBXUXHUNALFWEV-UHFFFAOYSA-N
XLogP3.49
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.04
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-nitrophenyl)-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
CID 22163192
N-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide
CID 22163208
N-(2,4-dinitrophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748511
N-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 3632427
N,N'-bis(2-chloro-5-nitrophenyl)-2,2,3,3-tetrafluorobutanediamide
CID 3519654
N-(2-bromo-4-nitrophenyl)-3-methylbut-2-enamide
CID 19177492
2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 18543314
N-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide
CID 14577518
N-(2-bromo-4-nitrophenyl)-3-methylbutanamide
CID 4604816
N-(2-bromo-4-nitrophenyl)-1-cyanocyclopropane-1-carboxamide
CID 114003676
N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60647189
N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide
CID 81226714

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide (CID 15402155) is N-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide is O=C(Nc1ccc([N+](=O)[O-])cc1Br)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is PBXUXHUNALFWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF5N2O3/c10-5-3-4(17(19)20)1-2-6(5)16-7(18)8(11,12)9(13,14)15/h1-3H,(H,16,18).
What are the key properties of N-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide?
N-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 363.04 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 15402155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).