N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide

C10H12ClN3O2 — CID 25239160

IUPACN-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide
SMILESCc1ccc(Cl)c(NC(=O)CC(=O)NN)c1
InChIInChI=1S/C10H12ClN3O2/c1-6-2-3-7(11)8(4-6)13-9(15)5-10(16)14-12/h2-4H,5,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyXQDCRAABBROYAT-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.97
Rot. Bonds3

About N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide

N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide (PubChem CID 25239160) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide
PubChem CID25239160
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC NameN-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide
SMILESCc1ccc(Cl)c(NC(=O)CC(=O)NN)c1
InChIInChI=1S/C10H12ClN3O2/c1-6-2-3-7(11)8(4-6)13-9(15)5-10(16)14-12/h2-4H,5,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyXQDCRAABBROYAT-UHFFFAOYSA-N
XLogP0.97
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
N-(2-chloro-5-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119705341
N-(2-chloro-5-methylphenyl)-2-methoxyacetamide
CID 103769395
N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide
CID 83628932
1-amino-3-(2-chloro-5-methylphenyl)-2-methylguanidine
CID 107639638
N-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119705332
2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
CID 119279638
3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
CID 28967971
N-(5-amino-2-chlorophenyl)-2-(4-methylphenyl)acetamide
CID 43548738
tert-butyl 4-(2-chloro-5-methylanilino)-4-oxobutanoate
CID 106812284
N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide
CID 103769385
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide (CID 25239160) is N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide is Cc1ccc(Cl)c(NC(=O)CC(=O)NN)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide?
The InChIKey is XQDCRAABBROYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-6-2-3-7(11)8(4-6)13-9(15)5-10(16)14-12/h2-4H,5,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide?
N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide has a molecular weight of 241.68 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide is sourced from PubChem (CID 25239160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).