(4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone

C16H16BrClN2O2 — CID 87011263

IUPAC(4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
SMILESCn1cc(Br)cc1C(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H16BrClN2O2/c1-19-9-12(17)8-14(19)16(21)20-6-7-22-15(10-20)11-2-4-13(18)5-3-11/h2-5,8-9,15H,6-7,10H2,1H3
InChIKeyZEFMXQFJJIIYIX-UHFFFAOYSA-N
MW383.67 g/mol
LogP3.65
Rot. Bonds2

About (4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone

(4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone (PubChem CID 87011263) has the molecular formula C16H16BrClN2O2 and a molecular weight of 383.67 g/mol. Its IUPAC name is (4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
PubChem CID87011263
Molecular FormulaC16H16BrClN2O2
Molecular Weight383.67 g/mol
Exact Mass382.01
IUPAC Name(4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
SMILESCn1cc(Br)cc1C(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H16BrClN2O2/c1-19-9-12(17)8-14(19)16(21)20-6-7-22-15(10-20)11-2-4-13(18)5-3-11/h2-5,8-9,15H,6-7,10H2,1H3
InChIKeyZEFMXQFJJIIYIX-UHFFFAOYSA-N
XLogP3.65
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.67
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone
CID 86821175
methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate
CID 95217867
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone
CID 47913302
(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609210
(4-chloro-2-methoxyphenyl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95203094
2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 55982913
(1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 56751067
[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone
CID 47913144
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
[2-(4-chlorophenyl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60552657
[2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone
CID 55635007

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone (CID 87011263) is (4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone is Cn1cc(Br)cc1C(=O)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of (4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone?
The InChIKey is ZEFMXQFJJIIYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O2/c1-19-9-12(17)8-14(19)16(21)20-6-7-22-15(10-20)11-2-4-13(18)5-3-11/h2-5,8-9,15H,6-7,10H2,1H3.
What are the key properties of (4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone?
(4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone has a molecular weight of 383.67 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 87011263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).