N-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide

C9H10ClN3O3 — CID 107622734

IUPACN-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide
SMILESCOc1cc(NC(=O)C(=O)NN)ccc1Cl
InChIInChI=1S/C9H10ClN3O3/c1-16-7-4-5(2-3-6(7)10)12-8(14)9(15)13-11/h2-4H,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyODSUCEGBAULZIU-UHFFFAOYSA-N
MW243.65 g/mol
LogP0.28
Rot. Bonds2

About N-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide

N-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide (PubChem CID 107622734) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide
PubChem CID107622734
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC NameN-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide
SMILESCOc1cc(NC(=O)C(=O)NN)ccc1Cl
InChIInChI=1S/C9H10ClN3O3/c1-16-7-4-5(2-3-6(7)10)12-8(14)9(15)13-11/h2-4H,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyODSUCEGBAULZIU-UHFFFAOYSA-N
XLogP0.28
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-3-methoxyphenyl)-N-(cyanomethyl)oxamide
CID 107621880
2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
CID 107621348
2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide
CID 143179500
N-(4-chloro-3-methoxyphenyl)-4-(methylamino)benzamide
CID 107623041
4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
CID 107621685
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
N-(4-bromo-3-chlorophenyl)-2-hydrazinyl-2-oxoacetamide
CID 107615247
N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide
CID 108501263
4-bromo-N-(4-chloro-3-methoxyphenyl)benzamide
CID 107271772
5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107623148
5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide
CID 107623030

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide (CID 107622734) is N-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide is COc1cc(NC(=O)C(=O)NN)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide?
The InChIKey is ODSUCEGBAULZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3/c1-16-7-4-5(2-3-6(7)10)12-8(14)9(15)13-11/h2-4H,11H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide?
N-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide has a molecular weight of 243.65 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 107622734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).