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

C20H21Cl2FN2O2 — CID 47035989

IUPAC2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]benzamide
SMILESCC1CN(C(CNC(=O)c2ccccc2Cl)c2c(F)cccc2Cl)CCO1
InChIInChI=1S/C20H21Cl2FN2O2/c1-13-12-25(9-10-27-13)18(19-16(22)7-4-8-17(19)23)11-24-20(26)14-5-2-3-6-15(14)21/h2-8,13,18H,9-12H2,1H3,(H,24,26)
InChIKeyZAGCDLRRBQVMBI-UHFFFAOYSA-N
MW411.30 g/mol
LogP4.32
Rot. Bonds5

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

2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]benzamide (PubChem CID 47035989) has the molecular formula C20H21Cl2FN2O2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]benzamide
PubChem CID47035989
Molecular FormulaC20H21Cl2FN2O2
Molecular Weight411.30 g/mol
Exact Mass410.10
IUPAC Name2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]benzamide
SMILESCC1CN(C(CNC(=O)c2ccccc2Cl)c2c(F)cccc2Cl)CCO1
InChIInChI=1S/C20H21Cl2FN2O2/c1-13-12-25(9-10-27-13)18(19-16(22)7-4-8-17(19)23)11-24-20(26)14-5-2-3-6-15(14)21/h2-8,13,18H,9-12H2,1H3,(H,24,26)
InChIKeyZAGCDLRRBQVMBI-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 54.32
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]-6-fluorobenzamide
CID 55714599
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]acetamide
CID 51080950
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
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
(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
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(2-fluorophenoxy)butanamide
CID 60550013

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]benzamide (CID 47035989) is 2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]benzamide is CC1CN(C(CNC(=O)c2ccccc2Cl)c2c(F)cccc2Cl)CCO1.
What is the InChIKey of 2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]benzamide?
The InChIKey is ZAGCDLRRBQVMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2FN2O2/c1-13-12-25(9-10-27-13)18(19-16(22)7-4-8-17(19)23)11-24-20(26)14-5-2-3-6-15(14)21/h2-8,13,18H,9-12H2,1H3,(H,24,26).
What are the key properties of 2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]benzamide?
2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]benzamide has a molecular weight of 411.30 g/mol, XLogP of 4.32, 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]benzamide is sourced from PubChem (CID 47035989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).