N-(3-chloro-4-methylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide

C17H16ClN3O4 — CID 3117694

IUPACN-(3-chloro-4-methylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCOc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C17H16ClN3O4/c1-10-6-7-12(9-14(10)18)19-16(23)17(24)21-20-15(22)11-4-3-5-13(8-11)25-2/h3-9H,1-2H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyWSIIRBQCPVISIB-UHFFFAOYSA-N
MW361.79 g/mol
LogP2.06
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide

N-(3-chloro-4-methylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide (PubChem CID 3117694) has the molecular formula C17H16ClN3O4 and a molecular weight of 361.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
PubChem CID3117694
Molecular FormulaC17H16ClN3O4
Molecular Weight361.79 g/mol
Exact Mass361.08
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCOc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C17H16ClN3O4/c1-10-6-7-12(9-14(10)18)19-16(23)17(24)21-20-15(22)11-4-3-5-13(8-11)25-2/h3-9H,1-2H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyWSIIRBQCPVISIB-UHFFFAOYSA-N
XLogP2.06
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-Chloro-2,3-dihydro-2-(4-methoxy-2-methylphenyl)pyridazino[4,5-b]quinoline-1,4,10(5H)-trione
CID 9843028
Slk/stk10-IN-1
CID 6539459
N-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethyl}-3-methoxy-benzamide
CID 11036114
2-chloro-N-{3-[(3-methoxybenzoyl)amino]phenyl}benzamide
CID 1365873
2-[N'-(4-Methoxy-benzoyl)-hydrazino]-2-oxo-N-p-tolyl-acetamide
CID 3117687
N-(4-Ethyl-phenyl)-2-[N'-(3-methoxy-benzoyl)-hydrazino]-2-oxo-acetamide
CID 3117688
N-(3-Chloro-4-methyl-phenyl)-2-[N'-(2-methoxy-benzoyl)-hydrazino]-2-oxo-acetamide
CID 3117693
N-(3-chlorophenyl)-1-(3-methoxybenzoyl)-4-piperidinecarboxamide
CID 4604409
N-(3-chloro-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 843391
2-(2-(2,4-dichlorobenzoyl)hydrazinyl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 1965229
N-[4-({2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazino}carbonyl)phenyl]pentanamide
CID 2983509
2-[N'-(3-Methoxy-benzoyl)-hydrazino]-2-oxo-N-p-tolyl-acetamide
CID 3117686

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide (CID 3117694) is N-(3-chloro-4-methylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide is COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
The InChIKey is WSIIRBQCPVISIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4/c1-10-6-7-12(9-14(10)18)19-16(23)17(24)21-20-15(22)11-4-3-5-13(8-11)25-2/h3-9H,1-2H3,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
N-(3-chloro-4-methylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide has a molecular weight of 361.79 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 3117694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).