N-[4-(trifluoromethyl)anilino]nitramide

C7H6F3N3O2 — CID 19778313

IUPACN-[4-(trifluoromethyl)anilino]nitramide
SMILESO=[N+]([O-])NNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)5-1-3-6(4-2-5)11-12-13(14)15/h1-4,11-12H
InChIKeySKUIXJNQPYUVRS-UHFFFAOYSA-N
MW221.14 g/mol
LogP1.81
Rot. Bonds3

About N-[4-(trifluoromethyl)anilino]nitramide

N-[4-(trifluoromethyl)anilino]nitramide (PubChem CID 19778313) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)anilino]nitramide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)anilino]nitramide
PubChem CID19778313
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC NameN-[4-(trifluoromethyl)anilino]nitramide
SMILESO=[N+]([O-])NNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)5-1-3-6(4-2-5)11-12-13(14)15/h1-4,11-12H
InChIKeySKUIXJNQPYUVRS-UHFFFAOYSA-N
XLogP1.81
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(trifluoromethyl)anilino]nitramide 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

4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide
CID 20705865
(4-nitrophenyl) N-[4-(trifluoromethyl)anilino]carbamate
CID 59053946
N-[(4-nitrophenyl)methyl]-4-(trifluoromethyl)aniline
CID 22353776
3-nitro-N-[4-(trifluoromethyl)phenyl]aniline
CID 142848101
5-nitro-6-(2-phenylhydrazinyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 22526736
3,5-dinitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9097997
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
1-nitro-4-(trifluoromethyl)benzene;sulfuryl dichloride
CID 174710355
4-nitroaniline;4-(trifluoromethyl)aniline
CID 175448311
6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 43330264
N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108513404
1-hydroxy-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-1-ium-3-amine
CID 147182523

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)anilino]nitramide?
The IUPAC name of N-[4-(trifluoromethyl)anilino]nitramide (CID 19778313) is N-[4-(trifluoromethyl)anilino]nitramide.
What is the SMILES notation for N-[4-(trifluoromethyl)anilino]nitramide?
The canonical SMILES for N-[4-(trifluoromethyl)anilino]nitramide is O=[N+]([O-])NNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)anilino]nitramide?
The InChIKey is SKUIXJNQPYUVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c8-7(9,10)5-1-3-6(4-2-5)11-12-13(14)15/h1-4,11-12H.
What are the key properties of N-[4-(trifluoromethyl)anilino]nitramide?
N-[4-(trifluoromethyl)anilino]nitramide has a molecular weight of 221.14 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)anilino]nitramide is sourced from PubChem (CID 19778313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).