4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide

C13H17FN4O3 — CID 114541023

IUPAC4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide
SMILESCC1CCC(NC(=O)c2cc(NN)c(F)cc2[N+](=O)[O-])C1
InChIInChI=1S/C13H17FN4O3/c1-7-2-3-8(4-7)16-13(19)9-5-11(17-15)10(14)6-12(9)18(20)21/h5-8,17H,2-4,15H2,1H3,(H,16,19)
InChIKeyBACNVDPZGXXHAK-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.94
Rot. Bonds4

About 4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide

4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide (PubChem CID 114541023) has the molecular formula C13H17FN4O3 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide.

Molecular Properties

Compound Name4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide
PubChem CID114541023
Molecular FormulaC13H17FN4O3
Molecular Weight296.30 g/mol
Exact Mass296.13
IUPAC Name4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide
SMILESCC1CCC(NC(=O)c2cc(NN)c(F)cc2[N+](=O)[O-])C1
InChIInChI=1S/C13H17FN4O3/c1-7-2-3-8(4-7)16-13(19)9-5-11(17-15)10(14)6-12(9)18(20)21/h5-8,17H,2-4,15H2,1H3,(H,16,19)
InChIKeyBACNVDPZGXXHAK-UHFFFAOYSA-N
XLogP1.94
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.94
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

N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide
CID 55042740
2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide
CID 114545572
N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62243387
4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide
CID 114540566
N-(4-chlorocyclohexyl)-4,5-difluoro-2-nitrobenzamide
CID 114296950
4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331390
N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62242455
2-hydrazinyl-4-methyl-N-(3-methylcyclopentyl)benzamide
CID 114541042
N-(4-amino-4-oxobutyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236532
N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236101
4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide
CID 83016957
4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 62242120

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide?
The IUPAC name of 4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide (CID 114541023) is 4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide.
What is the SMILES notation for 4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide?
The canonical SMILES for 4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide is CC1CCC(NC(=O)c2cc(NN)c(F)cc2[N+](=O)[O-])C1.
What is the InChIKey of 4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide?
The InChIKey is BACNVDPZGXXHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O3/c1-7-2-3-8(4-7)16-13(19)9-5-11(17-15)10(14)6-12(9)18(20)21/h5-8,17H,2-4,15H2,1H3,(H,16,19).
What are the key properties of 4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide?
4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide has a molecular weight of 296.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide is sourced from PubChem (CID 114541023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).