N-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide

C10H4BrF4N3O3 — CID 22163208

IUPACN-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide
SMILESN#CC(F)(C(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(F)(F)F
InChIInChI=1S/C10H4BrF4N3O3/c11-6-3-5(18(20)21)1-2-7(6)17-8(19)9(12,4-16)10(13,14)15/h1-3H,(H,17,19)
InChIKeyIDOLHHHNBSCYLH-UHFFFAOYSA-N
MW370.06 g/mol
LogP3.09
Rot. Bonds3

About N-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide

N-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide (PubChem CID 22163208) has the molecular formula C10H4BrF4N3O3 and a molecular weight of 370.06 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide
PubChem CID22163208
Molecular FormulaC10H4BrF4N3O3
Molecular Weight370.06 g/mol
Exact Mass368.94
IUPAC NameN-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide
SMILESN#CC(F)(C(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(F)(F)F
InChIInChI=1S/C10H4BrF4N3O3/c11-6-3-5(18(20)21)1-2-7(6)17-8(19)9(12,4-16)10(13,14)15/h1-3H,(H,17,19)
InChIKeyIDOLHHHNBSCYLH-UHFFFAOYSA-N
XLogP3.09
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.06
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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)-2,2,3,3,3-pentafluoropropanamide
CID 15402155
N-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide
CID 14577518
N-(2-bromo-4-nitrophenyl)-1-cyanocyclopropane-1-carboxamide
CID 114003676
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-bromo-4-nitrophenyl)-3-methylbutanamide
CID 4604816
N-(2-cyano-4-nitrophenyl)-2,2-dimethylpropanamide
CID 23826376
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
2-bromo-1-(diazonioamino)-4-nitrobenzene
CID 151722653
N,N'-bis(2-chloro-5-nitrophenyl)-2,2,3,3-tetrafluorobutanediamide
CID 3519654

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide (CID 22163208) is N-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide is N#CC(F)(C(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(F)(F)F.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide?
The InChIKey is IDOLHHHNBSCYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrF4N3O3/c11-6-3-5(18(20)21)1-2-7(6)17-8(19)9(12,4-16)10(13,14)15/h1-3H,(H,17,19).
What are the key properties of N-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide?
N-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide has a molecular weight of 370.06 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide is sourced from PubChem (CID 22163208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).