N-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide

C11H4F7N3O3 — CID 14577518

IUPACN-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H4F7N3O3/c12-9(10(13,14)15,11(16,17)18)8(22)20-7-2-1-6(21(23)24)3-5(7)4-19/h1-3H,(H,20,22)
InChIKeyRPEXYCMKOHSRMV-UHFFFAOYSA-N
MW359.16 g/mol
LogP3.24
Rot. Bonds3

About N-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide

N-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide (PubChem CID 14577518) has the molecular formula C11H4F7N3O3 and a molecular weight of 359.16 g/mol. Its IUPAC name is N-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide
PubChem CID14577518
Molecular FormulaC11H4F7N3O3
Molecular Weight359.16 g/mol
Exact Mass359.01
IUPAC NameN-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H4F7N3O3/c12-9(10(13,14)15,11(16,17)18)8(22)20-7-2-1-6(21(23)24)3-5(7)4-19/h1-3H,(H,20,22)
InChIKeyRPEXYCMKOHSRMV-UHFFFAOYSA-N
XLogP3.24
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.16
LogP ≤ 53.24
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'}

Analyze N-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyano-4-nitrophenyl)-2,2-dimethylpropanamide
CID 23826376
N-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 103028928
3-amino-N-(2-cyano-4-nitrophenyl)-2,2-dimethylpropanamide
CID 115426279
N-(2-bromo-4-nitrophenyl)-2-cyano-2,3,3,3-tetrafluoropropanamide
CID 22163208
2-(tert-butylamino)-N-(2-cyano-4-nitrophenyl)acetamide
CID 78907414
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
5-nitro-2-(3,3,3-trifluoropropylamino)benzonitrile
CID 63226791
6-(2-cyano-4-nitroanilino)-6-oxohexanoic acid
CID 60941407
2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 18543314
2-bromo-N-(2-cyano-4-nitrophenyl)benzamide
CID 60704050
N-(2,4-dinitrophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748511

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide (CID 14577518) is N-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide is N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide?
The InChIKey is RPEXYCMKOHSRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F7N3O3/c12-9(10(13,14)15,11(16,17)18)8(22)20-7-2-1-6(21(23)24)3-5(7)4-19/h1-3H,(H,20,22).
What are the key properties of N-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide?
N-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide has a molecular weight of 359.16 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 14577518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).