1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone

C22H21BrN2O2 — CID 110172467

IUPAC1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1[nH]cc(-c2ccc(Br)cc2)c1N1CCOCC1
InChIInChI=1S/C22H21BrN2O2/c23-18-8-6-17(7-9-18)19-15-24-21(22(19)25-10-12-27-13-11-25)20(26)14-16-4-2-1-3-5-16/h1-9,15,24H,10-14H2
InChIKeyLMPIYPFKMAZZPJ-UHFFFAOYSA-N
MW425.33 g/mol
LogP4.71
Rot. Bonds5

About 1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone

1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone (PubChem CID 110172467) has the molecular formula C22H21BrN2O2 and a molecular weight of 425.33 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone
PubChem CID110172467
Molecular FormulaC22H21BrN2O2
Molecular Weight425.33 g/mol
Exact Mass424.08
IUPAC Name1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1[nH]cc(-c2ccc(Br)cc2)c1N1CCOCC1
InChIInChI=1S/C22H21BrN2O2/c23-18-8-6-17(7-9-18)19-15-24-21(22(19)25-10-12-27-13-11-25)20(26)14-16-4-2-1-3-5-16/h1-9,15,24H,10-14H2
InChIKeyLMPIYPFKMAZZPJ-UHFFFAOYSA-N
XLogP4.71
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(3-bromophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 10785031
methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 11822850
4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 21479706
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
methyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 110193884
S-(morpholin-4-ylmethyl) 2-phenylethanethioate
CID 24975270
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
methyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate
CID 110167805
4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine
CID 69072137
4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid
CID 57234201
1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-2-phenylethanone
CID 157427262
1-morpholin-4-yl-2-phenyl-N-(2-phenylphenyl)ethanimine
CID 10832126

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone (CID 110172467) is 1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone is O=C(Cc1ccccc1)c1[nH]cc(-c2ccc(Br)cc2)c1N1CCOCC1.
What is the InChIKey of 1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone?
The InChIKey is LMPIYPFKMAZZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O2/c23-18-8-6-17(7-9-18)19-15-24-21(22(19)25-10-12-27-13-11-25)20(26)14-16-4-2-1-3-5-16/h1-9,15,24H,10-14H2.
What are the key properties of 1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone?
1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone has a molecular weight of 425.33 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone is sourced from PubChem (CID 110172467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).