(1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone

C19H23ClN2O2 — CID 56751067

IUPAC(1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
SMILESCC(C)(C)n1ccc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C19H23ClN2O2/c1-19(2,3)22-9-8-15(12-22)18(23)21-10-11-24-17(13-21)14-4-6-16(20)7-5-14/h4-9,12,17H,10-11,13H2,1-3H3
InChIKeyCIUMPZJEDQZIFA-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.11
Rot. Bonds2

About (1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone

(1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone (PubChem CID 56751067) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is (1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
PubChem CID56751067
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name(1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
SMILESCC(C)(C)n1ccc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C19H23ClN2O2/c1-19(2,3)22-9-8-15(12-22)18(23)21-10-11-24-17(13-21)14-4-6-16(20)7-5-14/h4-9,12,17H,10-11,13H2,1-3H3
InChIKeyCIUMPZJEDQZIFA-UHFFFAOYSA-N
XLogP4.11
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 55982913
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 95197408
1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone
CID 86821175
[2-(4-chlorophenyl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60552657
3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95554145
(4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 87011263
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone
CID 95208918
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
(4-chloro-2-methoxyphenyl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95203094
[2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone
CID 55947377
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one
CID 110327064

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone (CID 56751067) is (1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone is CC(C)(C)n1ccc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of (1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone?
The InChIKey is CIUMPZJEDQZIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-19(2,3)22-9-8-15(12-22)18(23)21-10-11-24-17(13-21)14-4-6-16(20)7-5-14/h4-9,12,17H,10-11,13H2,1-3H3.
What are the key properties of (1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone?
(1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone has a molecular weight of 346.86 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56751067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).