N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C21H17ClN4O4 — CID 121059236

IUPACN-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C21H17ClN4O4/c22-15-7-5-14(6-8-15)16-9-10-20(28)26(24-16)12-11-23-19(27)13-25-17-3-1-2-4-18(17)30-21(25)29/h1-10H,11-13H2,(H,23,27)
InChIKeyXLXVPDYKLFLQPF-UHFFFAOYSA-N
MW424.84 g/mol
LogP2.29
Rot. Bonds6

About N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 121059236) has the molecular formula C21H17ClN4O4 and a molecular weight of 424.84 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID121059236
Molecular FormulaC21H17ClN4O4
Molecular Weight424.84 g/mol
Exact Mass424.09
IUPAC NameN-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C21H17ClN4O4/c22-15-7-5-14(6-8-15)16-9-10-20(28)26(24-16)12-11-23-19(27)13-25-17-3-1-2-4-18(17)30-21(25)29/h1-10H,11-13H2,(H,23,27)
InChIKeyXLXVPDYKLFLQPF-UHFFFAOYSA-N
XLogP2.29
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide
CID 18569757
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]quinoline-2-carboxamide
CID 18569760
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 121059174
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 110004268
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-cyclohexylacetamide
CID 18569732
2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121033501
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 5156979
N-[2-(4-chlorophenyl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 5156985

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 121059236) is N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is XLXVPDYKLFLQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O4/c22-15-7-5-14(6-8-15)16-9-10-20(28)26(24-16)12-11-23-19(27)13-25-17-3-1-2-4-18(17)30-21(25)29/h1-10H,11-13H2,(H,23,27).
What are the key properties of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 424.84 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 121059236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).