5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide

C11H13ClN4O — CID 62238401

IUPAC5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide
SMILESCN(CCC#N)C(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C11H13ClN4O/c1-16(6-2-5-13)11(17)9-7-8(12)3-4-10(9)15-14/h3-4,7,15H,2,6,14H2,1H3
InChIKeyOLYCZCKAZZEHMC-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.61
Rot. Bonds4

About 5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide

5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide (PubChem CID 62238401) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide
PubChem CID62238401
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide
SMILESCN(CCC#N)C(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C11H13ClN4O/c1-16(6-2-5-13)11(17)9-7-8(12)3-4-10(9)15-14/h3-4,7,15H,2,6,14H2,1H3
InChIKeyOLYCZCKAZZEHMC-UHFFFAOYSA-N
XLogP1.61
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide
CID 81255891
5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 62236200
5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide
CID 8813101
2-chloro-N-(2-cyanoethyl)-N-methyl-5-sulfanylbenzamide
CID 107021427
5-chloro-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 62236604
5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide
CID 63010043
2-amino-5-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 61114600
5-chloro-N-cyclopropyl-2-hydrazinyl-N-methylbenzamide
CID 62243364
5-chloro-2-hydrazinyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64519313
5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
5-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 62177619
N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide
CID 62686423

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide?
The IUPAC name of 5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide (CID 62238401) is 5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide.
What is the SMILES notation for 5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide?
The canonical SMILES for 5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide is CN(CCC#N)C(=O)c1cc(Cl)ccc1NN.
What is the InChIKey of 5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide?
The InChIKey is OLYCZCKAZZEHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-16(6-2-5-13)11(17)9-7-8(12)3-4-10(9)15-14/h3-4,7,15H,2,6,14H2,1H3.
What are the key properties of 5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide?
5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide has a molecular weight of 252.71 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide is sourced from PubChem (CID 62238401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).