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

C21H19ClN4O3 — CID 50812888

IUPACN-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2cccc(Cl)c2)c1=O
InChIInChI=1S/C21H19ClN4O3/c1-2-19(27)24-18-12-17(14-7-4-3-5-8-14)25-26(21(18)29)13-20(28)23-16-10-6-9-15(22)11-16/h3-12H,2,13H2,1H3,(H,23,28)(H,24,27)
InChIKeyGPANDLMNSSIBBG-UHFFFAOYSA-N
MW410.86 g/mol
LogP3.55
Rot. Bonds6

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

N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide (PubChem CID 50812888) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
PubChem CID50812888
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC NameN-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2cccc(Cl)c2)c1=O
InChIInChI=1S/C21H19ClN4O3/c1-2-19(27)24-18-12-17(14-7-4-3-5-8-14)25-26(21(18)29)13-20(28)23-16-10-6-9-15(22)11-16/h3-12H,2,13H2,1H3,(H,23,28)(H,24,27)
InChIKeyGPANDLMNSSIBBG-UHFFFAOYSA-N
XLogP3.55
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50813110
N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]propanamide
CID 50813022
N-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide
CID 50812970
2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50813225
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-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
CID 50813236
N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157
N-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
CID 50813235
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 50813030
N-[2-[2-(3-bromoanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide
CID 50813237
N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
CID 20894967

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide?
The IUPAC name of N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide (CID 50812888) is N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide.
What is the SMILES notation for N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide?
The canonical SMILES for N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide is CCC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2cccc(Cl)c2)c1=O.
What is the InChIKey of N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide?
The InChIKey is GPANDLMNSSIBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-2-19(27)24-18-12-17(14-7-4-3-5-8-14)25-26(21(18)29)13-20(28)23-16-10-6-9-15(22)11-16/h3-12H,2,13H2,1H3,(H,23,28)(H,24,27).
What are the key properties of N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide?
N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide has a molecular weight of 410.86 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide is sourced from PubChem (CID 50812888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).