[2-(3,4-dichlorophenyl)morpholin-4-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone

C22H20Cl2N2O3 — CID 166186596

IUPAC[2-(3,4-dichlorophenyl)morpholin-4-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone
SMILESCOc1ccccc1-c1c[nH]cc1C(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C22H20Cl2N2O3/c1-28-20-5-3-2-4-15(20)16-11-25-12-17(16)22(27)26-8-9-29-21(13-26)14-6-7-18(23)19(24)10-14/h2-7,10-12,21,25H,8-9,13H2,1H3
InChIKeyARYCAIJDVFAMCC-UHFFFAOYSA-N
MW431.32 g/mol
LogP5.21
Rot. Bonds4

About [2-(3,4-dichlorophenyl)morpholin-4-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone

[2-(3,4-dichlorophenyl)morpholin-4-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone (PubChem CID 166186596) has the molecular formula C22H20Cl2N2O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)morpholin-4-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)morpholin-4-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone
PubChem CID166186596
Molecular FormulaC22H20Cl2N2O3
Molecular Weight431.32 g/mol
Exact Mass430.09
IUPAC Name[2-(3,4-dichlorophenyl)morpholin-4-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone
SMILESCOc1ccccc1-c1c[nH]cc1C(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C22H20Cl2N2O3/c1-28-20-5-3-2-4-15(20)16-11-25-12-17(16)22(27)26-8-9-29-21(13-26)14-6-7-18(23)19(24)10-14/h2-7,10-12,21,25H,8-9,13H2,1H3
InChIKeyARYCAIJDVFAMCC-UHFFFAOYSA-N
XLogP5.21
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.32
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(3-methoxy-2-pyridinyl)methanone
CID 95199203
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone
CID 146042813
(2-methoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110326509
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642
(4-chloro-2-methoxyphenyl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95203094
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 95205403
[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]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 137342067
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
5-[(2S)-2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
CID 95468926
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)morpholin-4-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone?
The IUPAC name of [2-(3,4-dichlorophenyl)morpholin-4-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone (CID 166186596) is [2-(3,4-dichlorophenyl)morpholin-4-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)morpholin-4-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)morpholin-4-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone is COc1ccccc1-c1c[nH]cc1C(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [2-(3,4-dichlorophenyl)morpholin-4-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone?
The InChIKey is ARYCAIJDVFAMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3/c1-28-20-5-3-2-4-15(20)16-11-25-12-17(16)22(27)26-8-9-29-21(13-26)14-6-7-18(23)19(24)10-14/h2-7,10-12,21,25H,8-9,13H2,1H3.
What are the key properties of [2-(3,4-dichlorophenyl)morpholin-4-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone?
[2-(3,4-dichlorophenyl)morpholin-4-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone has a molecular weight of 431.32 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)morpholin-4-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone is sourced from PubChem (CID 166186596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).