3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide

C14H20N4O3 — CID 115549682

IUPAC3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
SMILESCC1(C)C(NC(=O)c2cccc(NN)c2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C14H20N4O3/c1-13(2)12(14(13,3)4)16-11(19)8-6-5-7-9(17-15)10(8)18(20)21/h5-7,12,17H,15H2,1-4H3,(H,16,19)
InChIKeyNSHFMJYMNSMJRF-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.04
Rot. Bonds4

About 3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide

3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide (PubChem CID 115549682) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide.

Molecular Properties

Compound Name3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
PubChem CID115549682
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
SMILESCC1(C)C(NC(=O)c2cccc(NN)c2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C14H20N4O3/c1-13(2)12(14(13,3)4)16-11(19)8-6-5-7-9(17-15)10(8)18(20)21/h5-7,12,17H,15H2,1-4H3,(H,16,19)
InChIKeyNSHFMJYMNSMJRF-UHFFFAOYSA-N
XLogP2.04
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

2-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid
CID 115542560
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428
N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549532
N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549451
N-benzyl-3-hydrazinyl-2-nitrobenzamide
CID 115549377
3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide
CID 106098487
N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549371
3-hydrazinyl-2-nitro-N-pyrimidin-5-ylbenzamide
CID 107590020
(3,3-dimethylpyrrolidin-1-yl)-(3-hydrazinyl-2-nitrophenyl)methanone
CID 115549690
3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide
CID 113333609
3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115549606

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The IUPAC name of 3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide (CID 115549682) is 3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide.
What is the SMILES notation for 3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The canonical SMILES for 3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide is CC1(C)C(NC(=O)c2cccc(NN)c2[N+](=O)[O-])C1(C)C.
What is the InChIKey of 3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The InChIKey is NSHFMJYMNSMJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-13(2)12(14(13,3)4)16-11(19)8-6-5-7-9(17-15)10(8)18(20)21/h5-7,12,17H,15H2,1-4H3,(H,16,19).
What are the key properties of 3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide has a molecular weight of 292.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide is sourced from PubChem (CID 115549682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).