2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide

C20H20Cl2F2N2O2 — CID 55714599

IUPAC2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide
SMILESCC1CN(C(CNC(=O)c2c(F)cccc2Cl)c2c(F)cccc2Cl)CCO1
InChIInChI=1S/C20H20Cl2F2N2O2/c1-12-11-26(8-9-28-12)17(18-13(21)4-2-6-15(18)23)10-25-20(27)19-14(22)5-3-7-16(19)24/h2-7,12,17H,8-11H2,1H3,(H,25,27)
InChIKeyZCBWDMVWTUMLGT-UHFFFAOYSA-N
MW429.29 g/mol
LogP4.46
Rot. Bonds5

About 2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide

2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide (PubChem CID 55714599) has the molecular formula C20H20Cl2F2N2O2 and a molecular weight of 429.29 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide
PubChem CID55714599
Molecular FormulaC20H20Cl2F2N2O2
Molecular Weight429.29 g/mol
Exact Mass428.09
IUPAC Name2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide
SMILESCC1CN(C(CNC(=O)c2c(F)cccc2Cl)c2c(F)cccc2Cl)CCO1
InChIInChI=1S/C20H20Cl2F2N2O2/c1-12-11-26(8-9-28-12)17(18-13(21)4-2-6-15(18)23)10-25-20(27)19-14(22)5-3-7-16(19)24/h2-7,12,17H,8-11H2,1H3,(H,25,27)
InChIKeyZCBWDMVWTUMLGT-UHFFFAOYSA-N
XLogP4.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.29
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]benzamide
CID 47035989
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]acetamide
CID 51080950
N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-3-methylbutanamide
CID 94866265
2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 119849364
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86990626
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60513372
4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 52501681
4-acetyl-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 55840494
(2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide
CID 119849378
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 154750278
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-5-methylsulfonylfuran-2-carboxamide
CID 86944324
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(methylamino)butanamide
CID 119849366

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide (CID 55714599) is 2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide is CC1CN(C(CNC(=O)c2c(F)cccc2Cl)c2c(F)cccc2Cl)CCO1.
What is the InChIKey of 2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide?
The InChIKey is ZCBWDMVWTUMLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2F2N2O2/c1-12-11-26(8-9-28-12)17(18-13(21)4-2-6-15(18)23)10-25-20(27)19-14(22)5-3-7-16(19)24/h2-7,12,17H,8-11H2,1H3,(H,25,27).
What are the key properties of 2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide?
2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide has a molecular weight of 429.29 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 55714599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).