3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride

C13H17Cl2FN2O2 — CID 119315236

IUPAC3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
SMILESCl.NCCC(=O)N1CCOC(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C13H16ClFN2O2.ClH/c14-10-7-9(1-2-11(10)15)12-8-17(5-6-19-12)13(18)3-4-16;/h1-2,7,12H,3-6,8,16H2;1H
InChIKeyZOWDKGLBTOIVJD-UHFFFAOYSA-N
MW323.20 g/mol
LogP2.15
Rot. Bonds3

About 3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride

3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride (PubChem CID 119315236) has the molecular formula C13H17Cl2FN2O2 and a molecular weight of 323.20 g/mol. Its IUPAC name is 3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
PubChem CID119315236
Molecular FormulaC13H17Cl2FN2O2
Molecular Weight323.20 g/mol
Exact Mass322.07
IUPAC Name3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
SMILESCl.NCCC(=O)N1CCOC(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C13H16ClFN2O2.ClH/c14-10-7-9(1-2-11(10)15)12-8-17(5-6-19-12)13(18)3-4-16;/h1-2,7,12H,3-6,8,16H2;1H
InChIKeyZOWDKGLBTOIVJD-UHFFFAOYSA-N
XLogP2.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315238
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 119042146
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone
CID 119769224
3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride
CID 154892310
7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119770399
(2S)-2-amino-1-[(2R)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-3,3-dimethylbutan-1-one
CID 99849922
4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one
CID 120562102
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone
CID 110015623

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride (CID 119315236) is 3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride is Cl.NCCC(=O)N1CCOC(c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride?
The InChIKey is ZOWDKGLBTOIVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2.ClH/c14-10-7-9(1-2-11(10)15)12-8-17(5-6-19-12)13(18)3-4-16;/h1-2,7,12H,3-6,8,16H2;1H.
What are the key properties of 3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride?
3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride has a molecular weight of 323.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119315236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).