5-[[5-(2-chloro-4-fluorobenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one

C19H14ClFN2O3 — CID 67603494

IUPAC5-[[5-(2-chloro-4-fluorobenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one
SMILESCOc1ccc(C(=O)c2ccc(F)cc2Cl)cc1Cc1ccn[nH]c1=O
InChIInChI=1S/C19H14ClFN2O3/c1-26-17-5-2-11(18(24)15-4-3-14(21)10-16(15)20)8-13(17)9-12-6-7-22-23-19(12)25/h2-8,10H,9H2,1H3,(H,23,25)
InChIKeyXBMKIZIIXODRKA-UHFFFAOYSA-N
MW372.78 g/mol
LogP3.39
Rot. Bonds5

About 5-[[5-(2-chloro-4-fluorobenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one

5-[[5-(2-chloro-4-fluorobenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one (PubChem CID 67603494) has the molecular formula C19H14ClFN2O3 and a molecular weight of 372.78 g/mol. Its IUPAC name is 5-[[5-(2-chloro-4-fluorobenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[[5-(2-chloro-4-fluorobenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one
PubChem CID67603494
Molecular FormulaC19H14ClFN2O3
Molecular Weight372.78 g/mol
Exact Mass372.07
IUPAC Name5-[[5-(2-chloro-4-fluorobenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one
SMILESCOc1ccc(C(=O)c2ccc(F)cc2Cl)cc1Cc1ccn[nH]c1=O
InChIInChI=1S/C19H14ClFN2O3/c1-26-17-5-2-11(18(24)15-4-3-14(21)10-16(15)20)8-13(17)9-12-6-7-22-23-19(12)25/h2-8,10H,9H2,1H3,(H,23,25)
InChIKeyXBMKIZIIXODRKA-UHFFFAOYSA-N
XLogP3.39
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222
methyl 4-(2-chloro-4-fluorobenzoyl)benzoate
CID 175059139
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone
CID 63048757
1-[3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627011
(4-bromo-2-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43805127
1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
CID 61054868
(3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 105125231
(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone
CID 79699081
3-[[5-(2,6-dichloro-4-methylbenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one
CID 70137016
(2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 113417701
2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 62621300

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-chloro-4-fluorobenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one?
The IUPAC name of 5-[[5-(2-chloro-4-fluorobenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one (CID 67603494) is 5-[[5-(2-chloro-4-fluorobenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-[[5-(2-chloro-4-fluorobenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-[[5-(2-chloro-4-fluorobenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one is COc1ccc(C(=O)c2ccc(F)cc2Cl)cc1Cc1ccn[nH]c1=O.
What is the InChIKey of 5-[[5-(2-chloro-4-fluorobenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one?
The InChIKey is XBMKIZIIXODRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O3/c1-26-17-5-2-11(18(24)15-4-3-14(21)10-16(15)20)8-13(17)9-12-6-7-22-23-19(12)25/h2-8,10H,9H2,1H3,(H,23,25).
What are the key properties of 5-[[5-(2-chloro-4-fluorobenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one?
5-[[5-(2-chloro-4-fluorobenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one has a molecular weight of 372.78 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2-chloro-4-fluorobenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 67603494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).