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

C11H14N4O3 — CID 62682327

IUPACN-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide
SMILESNNc1cc(C(=O)NCC2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O3/c12-14-9-5-8(3-4-10(9)15(17)18)11(16)13-6-7-1-2-7/h3-5,7,14H,1-2,6,12H2,(H,13,16)
InChIKeyOKPCPQONMRTVRW-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.02
Rot. Bonds5

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

N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide (PubChem CID 62682327) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide
PubChem CID62682327
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide
SMILESNNc1cc(C(=O)NCC2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O3/c12-14-9-5-8(3-4-10(9)15(17)18)11(16)13-6-7-1-2-7/h3-5,7,14H,1-2,6,12H2,(H,13,16)
InChIKeyOKPCPQONMRTVRW-UHFFFAOYSA-N
XLogP1.02
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.02
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-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide
CID 62242655
N-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide
CID 62682663
N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide
CID 63996005
N-(cyclopropylmethyl)-4-(methylamino)-3-nitrobenzamide
CID 33451394
N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide
CID 43244057
N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide
CID 17409199
4-amino-3-nitro-N-(oxan-4-ylmethyl)benzamide
CID 62350667
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide
CID 62856100
4-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitrobenzamide
CID 61409750
N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
CID 62682518
N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide
CID 65042968
N-[(3-chlorocyclopentyl)methyl]-3-methyl-4-nitrobenzamide
CID 106126889

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide (CID 62682327) is N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide is NNc1cc(C(=O)NCC2CC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide?
The InChIKey is OKPCPQONMRTVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-14-9-5-8(3-4-10(9)15(17)18)11(16)13-6-7-1-2-7/h3-5,7,14H,1-2,6,12H2,(H,13,16).
What are the key properties of N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide?
N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide has a molecular weight of 250.26 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide is sourced from PubChem (CID 62682327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).