4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide

C11H11FN6O3 — CID 64523214

IUPAC4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide
SMILESNNc1cc(C(=O)NCc2ncc[nH]2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C11H11FN6O3/c12-7-4-9(18(20)21)6(3-8(7)17-13)11(19)16-5-10-14-1-2-15-10/h1-4,17H,5,13H2,(H,14,15)(H,16,19)
InChIKeyMVLSKGXXRIRBTC-UHFFFAOYSA-N
MW294.25 g/mol
LogP0.67
Rot. Bonds5

About 4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide

4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide (PubChem CID 64523214) has the molecular formula C11H11FN6O3 and a molecular weight of 294.25 g/mol. Its IUPAC name is 4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide.

Molecular Properties

Compound Name4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide
PubChem CID64523214
Molecular FormulaC11H11FN6O3
Molecular Weight294.25 g/mol
Exact Mass294.09
IUPAC Name4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide
SMILESNNc1cc(C(=O)NCc2ncc[nH]2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C11H11FN6O3/c12-7-4-9(18(20)21)6(3-8(7)17-13)11(19)16-5-10-14-1-2-15-10/h1-4,17H,5,13H2,(H,14,15)(H,16,19)
InChIKeyMVLSKGXXRIRBTC-UHFFFAOYSA-N
XLogP0.67
TPSA138.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-amino-6-fluoro-N-(1H-imidazol-2-ylmethyl)-3-nitrobenzamide
CID 107123216
2-fluoro-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzamide
CID 64529688
N-(1H-imidazol-2-ylmethyl)-5-(methylamino)-2-nitrobenzamide
CID 64525572
4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide
CID 62236849
N-(4-amino-4-oxobutyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236532
4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 62242120
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62241216
N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62243387
4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide
CID 62242174
4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-3-nitrobenzamide
CID 64525971
4-amino-3-chloro-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzamide
CID 64525774
4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331390

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide?
The IUPAC name of 4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide (CID 64523214) is 4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide.
What is the SMILES notation for 4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide?
The canonical SMILES for 4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide is NNc1cc(C(=O)NCc2ncc[nH]2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide?
The InChIKey is MVLSKGXXRIRBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN6O3/c12-7-4-9(18(20)21)6(3-8(7)17-13)11(19)16-5-10-14-1-2-15-10/h1-4,17H,5,13H2,(H,14,15)(H,16,19).
What are the key properties of 4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide?
4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide has a molecular weight of 294.25 g/mol, XLogP of 0.67, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide is sourced from PubChem (CID 64523214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).