4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide

C11H13F3N4O3 — CID 115522197

IUPAC4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide
SMILESNNc1ccc(C(=O)NCCCC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13F3N4O3/c12-11(13,14)4-1-5-16-10(19)7-2-3-8(17-15)9(6-7)18(20)21/h2-3,6,17H,1,4-5,15H2,(H,16,19)
InChIKeyIWFSLKPELZLKBI-UHFFFAOYSA-N
MW306.24 g/mol
LogP1.95
Rot. Bonds6

About 4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide

4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide (PubChem CID 115522197) has the molecular formula C11H13F3N4O3 and a molecular weight of 306.24 g/mol. Its IUPAC name is 4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide.

Molecular Properties

Compound Name4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide
PubChem CID115522197
Molecular FormulaC11H13F3N4O3
Molecular Weight306.24 g/mol
Exact Mass306.09
IUPAC Name4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide
SMILESNNc1ccc(C(=O)NCCCC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13F3N4O3/c12-11(13,14)4-1-5-16-10(19)7-2-3-8(17-15)9(6-7)18(20)21/h2-3,6,17H,1,4-5,15H2,(H,16,19)
InChIKeyIWFSLKPELZLKBI-UHFFFAOYSA-N
XLogP1.95
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide
CID 62249235
4-bromo-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 63226688
4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide
CID 115522193
4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 62640596
N-methyl-3-nitro-4-(3,3,3-trifluoropropylamino)benzamide
CID 79034012
N-butyl-4-(butylamino)-3-nitrobenzamide
CID 10957327
N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide
CID 62242655
1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853
4-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 18105512
4-chloro-N-[3-[(4-chloro-3-nitrobenzoyl)amino]propyl]-3-nitrobenzamide
CID 4981185
4-anilino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-nitrobenzamide
CID 55720906

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide?
The IUPAC name of 4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide (CID 115522197) is 4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide.
What is the SMILES notation for 4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide?
The canonical SMILES for 4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide is NNc1ccc(C(=O)NCCCC(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide?
The InChIKey is IWFSLKPELZLKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O3/c12-11(13,14)4-1-5-16-10(19)7-2-3-8(17-15)9(6-7)18(20)21/h2-3,6,17H,1,4-5,15H2,(H,16,19).
What are the key properties of 4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide?
4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide has a molecular weight of 306.24 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide is sourced from PubChem (CID 115522197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).