N-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide

C12H11ClN4O2 — CID 62850298

IUPACN-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide
SMILESNc1cc(Cl)ccc1NC(=O)Cn1ncccc1=O
InChIInChI=1S/C12H11ClN4O2/c13-8-3-4-10(9(14)6-8)16-11(18)7-17-12(19)2-1-5-15-17/h1-6H,7,14H2,(H,16,18)
InChIKeyPFJBHQLOECYLFW-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.12
Rot. Bonds3

About N-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide

N-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 62850298) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide
PubChem CID62850298
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC NameN-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide
SMILESNc1cc(Cl)ccc1NC(=O)Cn1ncccc1=O
InChIInChI=1S/C12H11ClN4O2/c13-8-3-4-10(9(14)6-8)16-11(18)7-17-12(19)2-1-5-15-17/h1-6H,7,14H2,(H,16,18)
InChIKeyPFJBHQLOECYLFW-UHFFFAOYSA-N
XLogP1.12
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide
CID 62850123
N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 55126633
N-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061492
N-(3-amino-2-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62851005
N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
CID 62848889
N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62849766
N-(2-amino-4-chlorophenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 63172766
N-(2-amino-4-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61227111
N-(2-amino-4-chlorophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045441
N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide
CID 19522694
N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43581141
N-(2,5-dichlorophenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 7659702

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide (CID 62850298) is N-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide is Nc1cc(Cl)ccc1NC(=O)Cn1ncccc1=O.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide?
The InChIKey is PFJBHQLOECYLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c13-8-3-4-10(9(14)6-8)16-11(18)7-17-12(19)2-1-5-15-17/h1-6H,7,14H2,(H,16,18).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide?
N-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 278.70 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 62850298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).