3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide

C10H9F4N3O3 — CID 106295547

IUPAC3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESNc1cc(C(=O)NCC(F)(F)C(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H9F4N3O3/c11-9(12)10(13,14)4-16-8(18)5-1-2-7(17(19)20)6(15)3-5/h1-3,9H,4,15H2,(H,16,18)
InChIKeyJLTHGJZKGSDASE-UHFFFAOYSA-N
MW295.19 g/mol
LogP1.81
Rot. Bonds5

About 3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide

3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide (PubChem CID 106295547) has the molecular formula C10H9F4N3O3 and a molecular weight of 295.19 g/mol. Its IUPAC name is 3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide.

Molecular Properties

Compound Name3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide
PubChem CID106295547
Molecular FormulaC10H9F4N3O3
Molecular Weight295.19 g/mol
Exact Mass295.06
IUPAC Name3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESNc1cc(C(=O)NCC(F)(F)C(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H9F4N3O3/c11-9(12)10(13,14)4-16-8(18)5-1-2-7(17(19)20)6(15)3-5/h1-3,9H,4,15H2,(H,16,18)
InChIKeyJLTHGJZKGSDASE-UHFFFAOYSA-N
XLogP1.81
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 51.81
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'}

Analyze 3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide 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-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103577982
3-amino-N-(2,2-difluoroethyl)-4-nitrobenzamide
CID 113304064
2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295603
3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide
CID 62682092
4-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 18105512
3-amino-N-(4-fluorophenyl)-4-nitrobenzamide
CID 62681564
3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106289370
N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-4-nitrobenzamide
CID 104862723
N-(2-amino-2-methylpropyl)-3-methyl-4-nitrobenzamide;hydrochloride
CID 119628423
4-amino-N-(2-amino-2-ethylbutyl)-3-nitrobenzamide;hydrochloride
CID 119643503
3-amino-4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106408394
4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106290959

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The IUPAC name of 3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide (CID 106295547) is 3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide.
What is the SMILES notation for 3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The canonical SMILES for 3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide is Nc1cc(C(=O)NCC(F)(F)C(F)F)ccc1[N+](=O)[O-].
What is the InChIKey of 3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The InChIKey is JLTHGJZKGSDASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N3O3/c11-9(12)10(13,14)4-16-8(18)5-1-2-7(17(19)20)6(15)3-5/h1-3,9H,4,15H2,(H,16,18).
What are the key properties of 3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide?
3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide has a molecular weight of 295.19 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide is sourced from PubChem (CID 106295547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).