4,5-dichloro-2-[4-[4-(fluoromethoxy)anilino]cyclohexyl]pyridazin-3-one

C17H18Cl2FN3O2 — CID 171823808

IUPAC4,5-dichloro-2-[4-[4-(fluoromethoxy)anilino]cyclohexyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1C1CCC(Nc2ccc(OCF)cc2)CC1
InChIInChI=1S/C17H18Cl2FN3O2/c18-15-9-21-23(17(24)16(15)19)13-5-1-11(2-6-13)22-12-3-7-14(8-4-12)25-10-20/h3-4,7-9,11,13,22H,1-2,5-6,10H2
InChIKeyORMOEDHENWXKOA-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.45
Rot. Bonds5

About 4,5-dichloro-2-[4-[4-(fluoromethoxy)anilino]cyclohexyl]pyridazin-3-one

4,5-dichloro-2-[4-[4-(fluoromethoxy)anilino]cyclohexyl]pyridazin-3-one (PubChem CID 171823808) has the molecular formula C17H18Cl2FN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 4,5-dichloro-2-[4-[4-(fluoromethoxy)anilino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[4-[4-(fluoromethoxy)anilino]cyclohexyl]pyridazin-3-one
PubChem CID171823808
Molecular FormulaC17H18Cl2FN3O2
Molecular Weight386.25 g/mol
Exact Mass385.08
IUPAC Name4,5-dichloro-2-[4-[4-(fluoromethoxy)anilino]cyclohexyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1C1CCC(Nc2ccc(OCF)cc2)CC1
InChIInChI=1S/C17H18Cl2FN3O2/c18-15-9-21-23(17(24)16(15)19)13-5-1-11(2-6-13)22-12-3-7-14(8-4-12)25-10-20/h3-4,7-9,11,13,22H,1-2,5-6,10H2
InChIKeyORMOEDHENWXKOA-UHFFFAOYSA-N
XLogP4.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-2-[4-[[6-(trifluoromethoxy)-3-pyridinyl]amino]cyclohexyl]pyridazin-3-one
CID 168963881
4,5-dichloro-2-cyclooctylpyridazin-3-one;methane
CID 173110964
4-chloro-2-[4-[N-cyclopropyl-4-(fluoromethoxy)anilino]cyclohexyl]-5-(methylamino)pyridazin-3-one;1,4-oxathiane 4-oxide
CID 171823792
4-chloro-2-[4-(4-cyclopropylanilino)cyclohexyl]-5-[[(3R,4S)-4-methoxyoxan-3-yl]methylamino]pyridazin-3-one
CID 168963118
N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline
CID 103438948
4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027472
4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one
CID 97110887
4,5-dichloro-2-[(3R,4S)-3-fluoropiperidin-4-yl]pyridazin-3-one
CID 168964557
4-chloro-2-cyclohexyl-5-sulfanylpyridazin-3-one
CID 22358118
N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline
CID 43686729
2-(4-chlorophenoxy)-N-[4-(cyclopentylamino)phenyl]acetamide
CID 112980612
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2408214

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[4-[4-(fluoromethoxy)anilino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[4-[4-(fluoromethoxy)anilino]cyclohexyl]pyridazin-3-one (CID 171823808) is 4,5-dichloro-2-[4-[4-(fluoromethoxy)anilino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[4-[4-(fluoromethoxy)anilino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[4-[4-(fluoromethoxy)anilino]cyclohexyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1C1CCC(Nc2ccc(OCF)cc2)CC1.
What is the InChIKey of 4,5-dichloro-2-[4-[4-(fluoromethoxy)anilino]cyclohexyl]pyridazin-3-one?
The InChIKey is ORMOEDHENWXKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN3O2/c18-15-9-21-23(17(24)16(15)19)13-5-1-11(2-6-13)22-12-3-7-14(8-4-12)25-10-20/h3-4,7-9,11,13,22H,1-2,5-6,10H2.
What are the key properties of 4,5-dichloro-2-[4-[4-(fluoromethoxy)anilino]cyclohexyl]pyridazin-3-one?
4,5-dichloro-2-[4-[4-(fluoromethoxy)anilino]cyclohexyl]pyridazin-3-one has a molecular weight of 386.25 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[4-[4-(fluoromethoxy)anilino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 171823808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).