N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanamide

C10H5F8N3O3 — CID 13020312

IUPACN-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanamide
SMILESNc1c(NC(=O)C(F)(F)C(F)(F)F)cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H5F8N3O3/c11-8(12,10(16,17)18)7(22)20-4-1-3(9(13,14)15)2-5(6(4)19)21(23)24/h1-2H,19H2,(H,20,22)
InChIKeyOQUUABHMMRSLHX-UHFFFAOYSA-N
MW367.15 g/mol
LogP3.33
Rot. Bonds3

About N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanamide

N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanamide (PubChem CID 13020312) has the molecular formula C10H5F8N3O3 and a molecular weight of 367.15 g/mol. Its IUPAC name is N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanamide
PubChem CID13020312
Molecular FormulaC10H5F8N3O3
Molecular Weight367.15 g/mol
Exact Mass367.02
IUPAC NameN-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanamide
SMILESNc1c(NC(=O)C(F)(F)C(F)(F)F)cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H5F8N3O3/c11-8(12,10(16,17)18)7(22)20-4-1-3(9(13,14)15)2-5(6(4)19)21(23)24/h1-2H,19H2,(H,20,22)
InChIKeyOQUUABHMMRSLHX-UHFFFAOYSA-N
XLogP3.33
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

2-amino-3-nitro-5-(trifluoromethyl)benzenesulfonic acid
CID 154163490
N-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 15402155
N-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide
CID 154292912
N-(2,4-dinitrophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748511
2,2,3,3,4,4,5,5,5-nonafluoro-N-[4-nitro-3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide
CID 4092045
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 134828491
2-iodo-1,3-dinitro-5-(trifluoromethyl)benzene
CID 141165200
ethyl 2-[2-nitro-5-(trifluoromethyl)anilino]-2-oxoacetate
CID 19990445
N-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide
CID 141373198
2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 4102535
2-iodo-6-nitro-4-(trifluoromethyl)benzamide
CID 171018413
methyl 3-nitro-2,5-bis(trifluoromethyl)benzoate
CID 134645801

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanamide (CID 13020312) is N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanamide is Nc1c(NC(=O)C(F)(F)C(F)(F)F)cc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is OQUUABHMMRSLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F8N3O3/c11-8(12,10(16,17)18)7(22)20-4-1-3(9(13,14)15)2-5(6(4)19)21(23)24/h1-2H,19H2,(H,20,22).
What are the key properties of N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanamide?
N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 367.15 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 13020312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).