N-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide

C20H17Cl2N3O2 — CID 86890336

IUPACN-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
SMILESCc1ccc(=O)n(CC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17Cl2N3O2/c1-13-2-11-19(27)25(24-13)12-18(26)23-20(14-3-7-16(21)8-4-14)15-5-9-17(22)10-6-15/h2-11,20H,12H2,1H3,(H,23,26)
InChIKeyCSHQSKQBYFKFGP-UHFFFAOYSA-N
MW402.28 g/mol
LogP3.76
Rot. Bonds5

About N-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide

N-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide (PubChem CID 86890336) has the molecular formula C20H17Cl2N3O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is N-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
PubChem CID86890336
Molecular FormulaC20H17Cl2N3O2
Molecular Weight402.28 g/mol
Exact Mass401.07
IUPAC NameN-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
SMILESCc1ccc(=O)n(CC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17Cl2N3O2/c1-13-2-11-19(27)25(24-13)12-18(26)23-20(14-3-7-16(21)8-4-14)15-5-9-17(22)10-6-15/h2-11,20H,12H2,1H3,(H,23,26)
InChIKeyCSHQSKQBYFKFGP-UHFFFAOYSA-N
XLogP3.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 99790816
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 166241304
6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one
CID 78949436
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7659850
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110278380
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873
N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659832
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 41247819
N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
CID 50946792
(2S,3S)-2-[[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-methylpentanoic acid
CID 95394867
N-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide
CID 71991611
N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide
CID 95555613

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide (CID 86890336) is N-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide is Cc1ccc(=O)n(CC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide?
The InChIKey is CSHQSKQBYFKFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2/c1-13-2-11-19(27)25(24-13)12-18(26)23-20(14-3-7-16(21)8-4-14)15-5-9-17(22)10-6-15/h2-11,20H,12H2,1H3,(H,23,26).
What are the key properties of N-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide?
N-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide has a molecular weight of 402.28 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 86890336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).