2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone

C12H15ClN2O2 — CID 117390089

IUPAC2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone
SMILESNCC(=O)c1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c13-10-7-9(12(16)8-14)1-2-11(10)15-3-5-17-6-4-15/h1-2,7H,3-6,8,14H2
InChIKeyGJZQTHDPWKXZQI-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.32
Rot. Bonds3

About 2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone

2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone (PubChem CID 117390089) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone
PubChem CID117390089
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone
SMILESNCC(=O)c1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c13-10-7-9(12(16)8-14)1-2-11(10)15-3-5-17-6-4-15/h1-2,7H,3-6,8,14H2
InChIKeyGJZQTHDPWKXZQI-UHFFFAOYSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone
CID 170860466
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone
CID 117425550
2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone
CID 117390088
4-chloro-3-morpholin-4-ylbenzohydrazide
CID 7148384
[2-(3,4-dichlorophenyl)-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate
CID 42982960
2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117115575
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 50881482
1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone
CID 82482111
1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one
CID 82123223
methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone (CID 117390089) is 2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone is NCC(=O)c1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of 2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone?
The InChIKey is GJZQTHDPWKXZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-10-7-9(12(16)8-14)1-2-11(10)15-3-5-17-6-4-15/h1-2,7H,3-6,8,14H2.
What are the key properties of 2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone?
2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone has a molecular weight of 254.72 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone is sourced from PubChem (CID 117390089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).