N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide

C12H16N4O3 — CID 62242655

IUPACN-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide
SMILESNNc1ccc(C(=O)NCC2CCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O3/c13-15-10-5-4-9(6-11(10)16(18)19)12(17)14-7-8-2-1-3-8/h4-6,8,15H,1-3,7,13H2,(H,14,17)
InChIKeyQECCZDGLDQBRFI-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.41
Rot. Bonds5

About N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide

N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide (PubChem CID 62242655) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide
PubChem CID62242655
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide
SMILESNNc1ccc(C(=O)NCC2CCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O3/c13-15-10-5-4-9(6-11(10)16(18)19)12(17)14-7-8-2-1-3-8/h4-6,8,15H,1-3,7,13H2,(H,14,17)
InChIKeyQECCZDGLDQBRFI-UHFFFAOYSA-N
XLogP1.41
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.41
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)-3-hydrazinyl-4-nitrobenzamide
CID 62682327
N-(cyclopropylmethyl)-4-(methylamino)-3-nitrobenzamide
CID 33451394
N-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide
CID 62682663
4-(cyclopropylamino)-N-[(3-hydroxycyclohexyl)methyl]-3-nitrobenzamide
CID 111460227
N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide
CID 17409199
N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide
CID 43244057
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62243387
4-amino-3-nitro-N-(oxan-4-ylmethyl)benzamide
CID 62350667
4-chloro-N-[(3-hydroxycyclohexyl)methyl]-3-nitrobenzamide
CID 106120935
4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 62640596
N-(1,1-dioxothiolan-3-yl)-4-hydrazinyl-3-nitrobenzamide
CID 62235008

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide?
The IUPAC name of N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide (CID 62242655) is N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide?
The canonical SMILES for N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide is NNc1ccc(C(=O)NCC2CCC2)cc1[N+](=O)[O-].
What is the InChIKey of N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide?
The InChIKey is QECCZDGLDQBRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-15-10-5-4-9(6-11(10)16(18)19)12(17)14-7-8-2-1-3-8/h4-6,8,15H,1-3,7,13H2,(H,14,17).
What are the key properties of N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide?
N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide has a molecular weight of 264.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide is sourced from PubChem (CID 62242655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).