3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one

C20H22Cl2N2O2 — CID 86893298

IUPAC3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one
SMILESO=C(C(CNCc1ccc(Cl)cc1Cl)c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H22Cl2N2O2/c21-17-7-6-16(19(22)12-17)13-23-14-18(15-4-2-1-3-5-15)20(25)24-8-10-26-11-9-24/h1-7,12,18,23H,8-11,13-14H2
InChIKeyMHRNTNKHFRUHEG-UHFFFAOYSA-N
MW393.31 g/mol
LogP3.73
Rot. Bonds6

About 3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one

3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one (PubChem CID 86893298) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one
PubChem CID86893298
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one
SMILESO=C(C(CNCc1ccc(Cl)cc1Cl)c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H22Cl2N2O2/c21-17-7-6-16(19(22)12-17)13-23-14-18(15-4-2-1-3-5-15)20(25)24-8-10-26-11-9-24/h1-7,12,18,23H,8-11,13-14H2
InChIKeyMHRNTNKHFRUHEG-UHFFFAOYSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one?
The IUPAC name of 3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one (CID 86893298) is 3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one is O=C(C(CNCc1ccc(Cl)cc1Cl)c1ccccc1)N1CCOCC1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one?
The InChIKey is MHRNTNKHFRUHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c21-17-7-6-16(19(22)12-17)13-23-14-18(15-4-2-1-3-5-15)20(25)24-8-10-26-11-9-24/h1-7,12,18,23H,8-11,13-14H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one?
3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one has a molecular weight of 393.31 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one is sourced from PubChem (CID 86893298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).