(2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone

C20H17ClFN3O2 — CID 90560366

IUPAC(2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCC(Oc2nncc3ccccc23)CC1
InChIInChI=1S/C20H17ClFN3O2/c21-18-11-14(22)5-6-17(18)20(26)25-9-7-15(8-10-25)27-19-16-4-2-1-3-13(16)12-23-24-19/h1-6,11-12,15H,7-10H2
InChIKeyCEERRLQLFXHERT-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.11
Rot. Bonds3

About (2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone

(2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone (PubChem CID 90560366) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
PubChem CID90560366
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name(2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCC(Oc2nncc3ccccc23)CC1
InChIInChI=1S/C20H17ClFN3O2/c21-18-11-14(22)5-6-17(18)20(26)25-9-7-15(8-10-25)27-19-16-4-2-1-3-13(16)12-23-24-19/h1-6,11-12,15H,7-10H2
InChIKeyCEERRLQLFXHERT-UHFFFAOYSA-N
XLogP4.11
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-5-nitrophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560291
(2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 121127202
(2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560263
1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560162
(2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90559064
(2-chloro-4-fluorophenyl)-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100756942
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560415
(4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone
CID 90560342
1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine
CID 90560524
N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide
CID 90560452
3-cyclohexyl-1-(4-phthalazin-1-yloxypiperidin-1-yl)propan-1-one
CID 90560236
4-phthalazin-1-yloxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90560454

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone (CID 90560366) is (2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone is O=C(c1ccc(F)cc1Cl)N1CCC(Oc2nncc3ccccc23)CC1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
The InChIKey is CEERRLQLFXHERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c21-18-11-14(22)5-6-17(18)20(26)25-9-7-15(8-10-25)27-19-16-4-2-1-3-13(16)12-23-24-19/h1-6,11-12,15H,7-10H2.
What are the key properties of (2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
(2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone has a molecular weight of 385.83 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90560366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).