[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride

C15H19Cl2FN2O3 — CID 119769231

IUPAC[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CNCCO1)N1CCOC(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C15H18ClFN2O3.ClH/c16-11-7-10(1-2-12(11)17)14-9-19(4-6-22-14)15(20)13-8-18-3-5-21-13;/h1-2,7,13-14,18H,3-6,8-9H2;1H
InChIKeyJTQNUTQUCQOMBC-UHFFFAOYSA-N
MW365.23 g/mol
LogP1.79
Rot. Bonds2

About [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride

[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride (PubChem CID 119769231) has the molecular formula C15H19Cl2FN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
PubChem CID119769231
Molecular FormulaC15H19Cl2FN2O3
Molecular Weight365.23 g/mol
Exact Mass364.08
IUPAC Name[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CNCCO1)N1CCOC(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C15H18ClFN2O3.ClH/c16-11-7-10(1-2-12(11)17)14-9-19(4-6-22-14)15(20)13-8-18-3-5-21-13;/h1-2,7,13-14,18H,3-6,8-9H2;1H
InChIKeyJTQNUTQUCQOMBC-UHFFFAOYSA-N
XLogP1.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
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[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone
CID 110015623
3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
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[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone
CID 63005450
5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183890
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CID 99849922
[2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
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[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 146123039
[2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120930572
1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 119042146
(3-aminopyrazin-2-yl)-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride?
The IUPAC name of [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride (CID 119769231) is [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride?
The canonical SMILES for [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride is Cl.O=C(C1CNCCO1)N1CCOC(c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride?
The InChIKey is JTQNUTQUCQOMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O3.ClH/c16-11-7-10(1-2-12(11)17)14-9-19(4-6-22-14)15(20)13-8-18-3-5-21-13;/h1-2,7,13-14,18H,3-6,8-9H2;1H.
What are the key properties of [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride?
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride has a molecular weight of 365.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119769231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).