(4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride

C17H20Cl2N2O2 — CID 138397986

IUPAC(4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(Cl)cc1)c1cccn1CCN1CCOCC1
InChIInChI=1S/C17H19ClN2O2.ClH/c18-15-5-3-14(4-6-15)17(21)16-2-1-7-20(16)9-8-19-10-12-22-13-11-19;/h1-7H,8-13H2;1H
InChIKeyACJHYWJLODFJEO-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.13
Rot. Bonds5

About (4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride

(4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride (PubChem CID 138397986) has the molecular formula C17H20Cl2N2O2 and a molecular weight of 355.26 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride
PubChem CID138397986
Molecular FormulaC17H20Cl2N2O2
Molecular Weight355.26 g/mol
Exact Mass354.09
IUPAC Name(4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(Cl)cc1)c1cccn1CCN1CCOCC1
InChIInChI=1S/C17H19ClN2O2.ClH/c18-15-5-3-14(4-6-15)17(21)16-2-1-7-20(16)9-8-19-10-12-22-13-11-19;/h1-7H,8-13H2;1H
InChIKeyACJHYWJLODFJEO-UHFFFAOYSA-N
XLogP3.13
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
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CID 113073693
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
(4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride
CID 19040811
1-(4-chlorophenyl)-2-morpholin-4-ylethanethione
CID 141307432
2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide
CID 88823559
2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine
CID 83823084
4-chloro-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]benzamide
CID 113040044
(2S)-4-(4-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid
CID 683158
4-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide
CID 146717960
4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide
CID 90607266
(4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 170857357

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride?
The IUPAC name of (4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride (CID 138397986) is (4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride.
What is the SMILES notation for (4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride?
The canonical SMILES for (4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride is Cl.O=C(c1ccc(Cl)cc1)c1cccn1CCN1CCOCC1.
What is the InChIKey of (4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride?
The InChIKey is ACJHYWJLODFJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2.ClH/c18-15-5-3-14(4-6-15)17(21)16-2-1-7-20(16)9-8-19-10-12-22-13-11-19;/h1-7H,8-13H2;1H.
What are the key properties of (4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride?
(4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride has a molecular weight of 355.26 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride is sourced from PubChem (CID 138397986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).