N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide

C14H20N4O3 — CID 62242500

IUPACN-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide
SMILESCCN(C(=O)c1cc(NN)ccc1[N+](=O)[O-])C1CCCC1
InChIInChI=1S/C14H20N4O3/c1-2-17(11-5-3-4-6-11)14(19)12-9-10(16-15)7-8-13(12)18(20)21/h7-9,11,16H,2-6,15H2,1H3
InChIKeyBTAKVNUBKDNYJE-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.29
Rot. Bonds5

About N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide

N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide (PubChem CID 62242500) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide
PubChem CID62242500
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide
SMILESCCN(C(=O)c1cc(NN)ccc1[N+](=O)[O-])C1CCCC1
InChIInChI=1S/C14H20N4O3/c1-2-17(11-5-3-4-6-11)14(19)12-9-10(16-15)7-8-13(12)18(20)21/h7-9,11,16H,2-6,15H2,1H3
InChIKeyBTAKVNUBKDNYJE-UHFFFAOYSA-N
XLogP2.29
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
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-N-ethyl-5-(ethylamino)-2-nitrobenzamide
CID 62169978
N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 63655560
N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 55051038
N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62242455
5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide
CID 62237352
N-cyclohexyl-N-ethyl-4-hydrazinylbenzamide
CID 62248667
5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide
CID 62241474
N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide
CID 63939145
N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide
CID 62680746
N-(azetidin-3-yl)-N-ethyl-5-methyl-2-nitrobenzamide
CID 66182534
5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide
CID 63007889
2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide
CID 4633265

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide?
The IUPAC name of N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide (CID 62242500) is N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide is CCN(C(=O)c1cc(NN)ccc1[N+](=O)[O-])C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide?
The InChIKey is BTAKVNUBKDNYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-17(11-5-3-4-6-11)14(19)12-9-10(16-15)7-8-13(12)18(20)21/h7-9,11,16H,2-6,15H2,1H3.
What are the key properties of N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide?
N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide has a molecular weight of 292.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide is sourced from PubChem (CID 62242500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).