N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide

C13H17FN4O3 — CID 62243387

IUPACN-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
SMILESNNc1cc(C(=O)NCC2CCCC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H17FN4O3/c14-10-6-12(18(20)21)9(5-11(10)17-15)13(19)16-7-8-3-1-2-4-8/h5-6,8,17H,1-4,7,15H2,(H,16,19)
InChIKeyYQVPTNQFGANJNI-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.94
Rot. Bonds5

About N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide

N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide (PubChem CID 62243387) has the molecular formula C13H17FN4O3 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
PubChem CID62243387
Molecular FormulaC13H17FN4O3
Molecular Weight296.30 g/mol
Exact Mass296.13
IUPAC NameN-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
SMILESNNc1cc(C(=O)NCC2CCCC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H17FN4O3/c14-10-6-12(18(20)21)9(5-11(10)17-15)13(19)16-7-8-3-1-2-4-8/h5-6,8,17H,1-4,7,15H2,(H,16,19)
InChIKeyYQVPTNQFGANJNI-UHFFFAOYSA-N
XLogP1.94
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide
CID 62172044
4,5-difluoro-2-nitro-N-(oxan-4-ylmethyl)benzamide
CID 63084632
N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide
CID 62242655
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-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62242455
N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236101
4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide
CID 83016957
N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide
CID 115937120
4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide
CID 114541023
4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331390

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide?
The IUPAC name of N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide (CID 62243387) is N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide?
The canonical SMILES for N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide is NNc1cc(C(=O)NCC2CCCC2)c([N+](=O)[O-])cc1F.
What is the InChIKey of N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide?
The InChIKey is YQVPTNQFGANJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O3/c14-10-6-12(18(20)21)9(5-11(10)17-15)13(19)16-7-8-3-1-2-4-8/h5-6,8,17H,1-4,7,15H2,(H,16,19).
What are the key properties of N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide?
N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide has a molecular weight of 296.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide is sourced from PubChem (CID 62243387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).