N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetamide

C15H14Cl2FN3O3 — CID 153374508

IUPACN-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetamide
SMILESCC(=O)Nc1cc(Cl)c(Oc2cc(C(C)C)c(=O)[nH]n2)c(Cl)c1F
InChIInChI=1S/C15H14Cl2FN3O3/c1-6(2)8-4-11(20-21-15(8)23)24-14-9(16)5-10(19-7(3)22)13(18)12(14)17/h4-6H,1-3H3,(H,19,22)(H,21,23)
InChIKeyDJVYGQOKQSMTMO-UHFFFAOYSA-N
MW374.20 g/mol
LogP4.09
Rot. Bonds4

About N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetamide

N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetamide (PubChem CID 153374508) has the molecular formula C15H14Cl2FN3O3 and a molecular weight of 374.20 g/mol. Its IUPAC name is N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetamide
PubChem CID153374508
Molecular FormulaC15H14Cl2FN3O3
Molecular Weight374.20 g/mol
Exact Mass373.04
IUPAC NameN-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetamide
SMILESCC(=O)Nc1cc(Cl)c(Oc2cc(C(C)C)c(=O)[nH]n2)c(Cl)c1F
InChIInChI=1S/C15H14Cl2FN3O3/c1-6(2)8-4-11(20-21-15(8)23)24-14-9(16)5-10(19-7(3)22)13(18)12(14)17/h4-6H,1-3H3,(H,19,22)(H,21,23)
InChIKeyDJVYGQOKQSMTMO-UHFFFAOYSA-N
XLogP4.09
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.20
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-oxadiazolidine-4-carboxamide
CID 175115425
N-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide
CID 156676738
3-(4-amino-2-chloro-6-hydroxyphenoxy)-5-propan-2-yl-1H-pyridazin-6-one
CID 177323780
[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]boronic acid
CID 155637453
2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetic acid
CID 15981207
3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one
CID 141161888
2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]butanedioic acid
CID 91399578
3-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]butanoic acid
CID 155296007
1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid
CID 175418628
5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one
CID 146402576
[4-tert-butyl-2-[3,5-dichloro-2-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-triazin-6-yl]carbamic acid
CID 175207599
2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 59834482

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetamide?
The IUPAC name of N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetamide (CID 153374508) is N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetamide.
What is the SMILES notation for N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetamide?
The canonical SMILES for N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetamide is CC(=O)Nc1cc(Cl)c(Oc2cc(C(C)C)c(=O)[nH]n2)c(Cl)c1F.
What is the InChIKey of N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetamide?
The InChIKey is DJVYGQOKQSMTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN3O3/c1-6(2)8-4-11(20-21-15(8)23)24-14-9(16)5-10(19-7(3)22)13(18)12(14)17/h4-6H,1-3H3,(H,19,22)(H,21,23).
What are the key properties of N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetamide?
N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetamide has a molecular weight of 374.20 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetamide is sourced from PubChem (CID 153374508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).