N-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide

C25H19ClN4O3 — CID 50812970

IUPACN-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide
SMILESO=C(Cn1nc(-c2ccccc2)cc(NC(=O)c2ccccc2)c1=O)Nc1ccccc1Cl
InChIInChI=1S/C25H19ClN4O3/c26-19-13-7-8-14-20(19)27-23(31)16-30-25(33)22(28-24(32)18-11-5-2-6-12-18)15-21(29-30)17-9-3-1-4-10-17/h1-15H,16H2,(H,27,31)(H,28,32)
InChIKeyFDMZEPRDMUAGBT-UHFFFAOYSA-N
MW458.91 g/mol
LogP4.45
Rot. Bonds6

About N-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide

N-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide (PubChem CID 50812970) has the molecular formula C25H19ClN4O3 and a molecular weight of 458.91 g/mol. Its IUPAC name is N-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide
PubChem CID50812970
Molecular FormulaC25H19ClN4O3
Molecular Weight458.91 g/mol
Exact Mass458.11
IUPAC NameN-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide
SMILESO=C(Cn1nc(-c2ccccc2)cc(NC(=O)c2ccccc2)c1=O)Nc1ccccc1Cl
InChIInChI=1S/C25H19ClN4O3/c26-19-13-7-8-14-20(19)27-23(31)16-30-25(33)22(28-24(32)18-11-5-2-6-12-18)15-21(29-30)17-9-3-1-4-10-17/h1-15H,16H2,(H,27,31)(H,28,32)
InChIKeyFDMZEPRDMUAGBT-UHFFFAOYSA-N
XLogP4.45
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.91
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 50813030
N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50812888
N-[2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50813110
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide
CID 50812937
N-[2-[2-(3-fluoroanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]benzamide
CID 50812935
N-(2,5-dichlorophenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 7659702
1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid
CID 114696103
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
N-(2-chlorophenyl)-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetamide
CID 30935880
N-(2-chlorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774389
N-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
CID 50813236
3-[2-(2-chloroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2351837

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide?
The IUPAC name of N-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide (CID 50812970) is N-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide.
What is the SMILES notation for N-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide?
The canonical SMILES for N-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide is O=C(Cn1nc(-c2ccccc2)cc(NC(=O)c2ccccc2)c1=O)Nc1ccccc1Cl.
What is the InChIKey of N-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide?
The InChIKey is FDMZEPRDMUAGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O3/c26-19-13-7-8-14-20(19)27-23(31)16-30-25(33)22(28-24(32)18-11-5-2-6-12-18)15-21(29-30)17-9-3-1-4-10-17/h1-15H,16H2,(H,27,31)(H,28,32).
What are the key properties of N-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide?
N-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide has a molecular weight of 458.91 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide is sourced from PubChem (CID 50812970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).