[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone

C20H21Cl2N3O2 — CID 134080021

IUPAC[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone
SMILESO=C(c1ccc(C2CCNN2)cc1)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C20H21Cl2N3O2/c21-16-6-5-15(11-17(16)22)19-12-25(9-10-27-19)20(26)14-3-1-13(2-4-14)18-7-8-23-24-18/h1-6,11,18-19,23-24H,7-10,12H2
InChIKeyMMCTWZLWVWMGLS-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.75
Rot. Bonds3

About [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone

[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone (PubChem CID 134080021) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone
PubChem CID134080021
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC Name[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone
SMILESO=C(c1ccc(C2CCNN2)cc1)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C20H21Cl2N3O2/c21-16-6-5-15(11-17(16)22)19-12-25(9-10-27-19)20(26)14-3-1-13(2-4-14)18-7-8-23-24-18/h1-6,11,18-19,23-24H,7-10,12H2
InChIKeyMMCTWZLWVWMGLS-UHFFFAOYSA-N
XLogP3.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone
CID 95188416
5-[(2S)-2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
CID 95468926
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364303
(3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95556637
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-ethylpyrazol-4-yl)methanone
CID 56755726
(2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 155501481
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596
[2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 119315643
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 95205403
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 95202636

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone?
The IUPAC name of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone (CID 134080021) is [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone is O=C(c1ccc(C2CCNN2)cc1)N1CCOC(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone?
The InChIKey is MMCTWZLWVWMGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2/c21-16-6-5-15(11-17(16)22)19-12-25(9-10-27-19)20(26)14-3-1-13(2-4-14)18-7-8-23-24-18/h1-6,11,18-19,23-24H,7-10,12H2.
What are the key properties of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone?
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone has a molecular weight of 406.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone is sourced from PubChem (CID 134080021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).