4-(3-amino-4-chlorophenyl)morpholin-3-one

C10H11ClN2O2 — CID 82512872

IUPAC4-(3-amino-4-chlorophenyl)morpholin-3-one
SMILESNc1cc(N2CCOCC2=O)ccc1Cl
InChIInChI=1S/C10H11ClN2O2/c11-8-2-1-7(5-9(8)12)13-3-4-15-6-10(13)14/h1-2,5H,3-4,6,12H2
InChIKeyYUYANRMEYMSTDM-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.29
Rot. Bonds1

About 4-(3-amino-4-chlorophenyl)morpholin-3-one

4-(3-amino-4-chlorophenyl)morpholin-3-one (PubChem CID 82512872) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 4-(3-amino-4-chlorophenyl)morpholin-3-one.

Molecular Properties

Compound Name4-(3-amino-4-chlorophenyl)morpholin-3-one
PubChem CID82512872
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name4-(3-amino-4-chlorophenyl)morpholin-3-one
SMILESNc1cc(N2CCOCC2=O)ccc1Cl
InChIInChI=1S/C10H11ClN2O2/c11-8-2-1-7(5-9(8)12)13-3-4-15-6-10(13)14/h1-2,5H,3-4,6,12H2
InChIKeyYUYANRMEYMSTDM-UHFFFAOYSA-N
XLogP1.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde
CID 91756748
4-(3-amino-4-nitrophenyl)morpholin-3-one
CID 66869728
4-(4-amino-3-ethynylphenyl)morpholin-3-one
CID 53417795
4-(3-acetyl-4-aminophenyl)morpholin-3-one
CID 53417687
4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)morpholin-3-one
CID 178121637
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
4-(4-ethynylphenyl)morpholin-3-one
CID 119094616
4-(2,3-dihydro-1H-indol-5-yl)morpholin-3-one
CID 82512700
4-(4-methyl-3-nitrophenyl)morpholin-3-one
CID 165481709
5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide
CID 165482135
3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide
CID 110363640
4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one
CID 156807251

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-chlorophenyl)morpholin-3-one?
The IUPAC name of 4-(3-amino-4-chlorophenyl)morpholin-3-one (CID 82512872) is 4-(3-amino-4-chlorophenyl)morpholin-3-one.
What is the SMILES notation for 4-(3-amino-4-chlorophenyl)morpholin-3-one?
The canonical SMILES for 4-(3-amino-4-chlorophenyl)morpholin-3-one is Nc1cc(N2CCOCC2=O)ccc1Cl.
What is the InChIKey of 4-(3-amino-4-chlorophenyl)morpholin-3-one?
The InChIKey is YUYANRMEYMSTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-8-2-1-7(5-9(8)12)13-3-4-15-6-10(13)14/h1-2,5H,3-4,6,12H2.
What are the key properties of 4-(3-amino-4-chlorophenyl)morpholin-3-one?
4-(3-amino-4-chlorophenyl)morpholin-3-one has a molecular weight of 226.66 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-chlorophenyl)morpholin-3-one is sourced from PubChem (CID 82512872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).