2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide

C10H9F4N3O3 — CID 103709597

IUPAC2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
SMILESNc1c(C(=O)NCCC(F)(F)F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H9F4N3O3/c11-5-3-6(8(15)7(4-5)17(19)20)9(18)16-2-1-10(12,13)14/h3-4H,1-2,15H2,(H,16,18)
InChIKeyBIAAYRQJTNFHKV-UHFFFAOYSA-N
MW295.19 g/mol
LogP2.00
Rot. Bonds4

About 2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide

2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 103709597) has the molecular formula C10H9F4N3O3 and a molecular weight of 295.19 g/mol. Its IUPAC name is 2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID103709597
Molecular FormulaC10H9F4N3O3
Molecular Weight295.19 g/mol
Exact Mass295.06
IUPAC Name2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
SMILESNc1c(C(=O)NCCC(F)(F)F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H9F4N3O3/c11-5-3-6(8(15)7(4-5)17(19)20)9(18)16-2-1-10(12,13)14/h3-4H,1-2,15H2,(H,16,18)
InChIKeyBIAAYRQJTNFHKV-UHFFFAOYSA-N
XLogP2.00
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 52.00
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'}

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Related Compounds

2-amino-N-(2,2-dimethylbutyl)-5-fluoro-3-nitrobenzamide
CID 106548251
2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
CID 120829397
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-fluoro-3-nitrobenzamide
CID 107123097
N-(2-aminoethyl)-2,5-difluoro-3-nitrobenzamide
CID 107121636
2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide
CID 107123296
2-amino-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-5-fluoro-3-nitrobenzamide
CID 55964288
2-amino-5-fluoro-N-(3-methylcyclobutyl)-3-nitrobenzamide
CID 103720356
2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115937161
2-amino-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 103877691
N-(2-bromoethyl)-2,5-difluoro-3-nitrobenzamide
CID 107122528
2-amino-5-fluoro-3-nitrobenzoic acid;ethane
CID 144759902
4-bromo-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 63226688

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide (CID 103709597) is 2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide is Nc1c(C(=O)NCCC(F)(F)F)cc(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is BIAAYRQJTNFHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N3O3/c11-5-3-6(8(15)7(4-5)17(19)20)9(18)16-2-1-10(12,13)14/h3-4H,1-2,15H2,(H,16,18).
What are the key properties of 2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide?
2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 295.19 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 103709597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).