[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate

C20H19ClFNO4 — CID 55325082

IUPAC[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate
SMILESCN(Cc1c(F)cccc1Cl)C(=O)COC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C20H19ClFNO4/c1-23(12-15-16(21)8-5-9-17(15)22)19(25)13-27-20(26)11-10-18(24)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyNOTZDUSODABZSA-UHFFFAOYSA-N
MW391.83 g/mol
LogP3.64
Rot. Bonds8

About [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate

[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate (PubChem CID 55325082) has the molecular formula C20H19ClFNO4 and a molecular weight of 391.83 g/mol. Its IUPAC name is [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate.

Molecular Properties

Compound Name[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate
PubChem CID55325082
Molecular FormulaC20H19ClFNO4
Molecular Weight391.83 g/mol
Exact Mass391.10
IUPAC Name[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate
SMILESCN(Cc1c(F)cccc1Cl)C(=O)COC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C20H19ClFNO4/c1-23(12-15-16(21)8-5-9-17(15)22)19(25)13-27-20(26)11-10-18(24)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyNOTZDUSODABZSA-UHFFFAOYSA-N
XLogP3.64
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 55315201
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 46638803
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 55315127
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 46627180
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 55313861
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
CID 54869007
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 46818217
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 7936316
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 55314998
2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 61115408

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate?
The IUPAC name of [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate (CID 55325082) is [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate.
What is the SMILES notation for [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate?
The canonical SMILES for [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate is CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)CCC(=O)c1ccccc1.
What is the InChIKey of [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate?
The InChIKey is NOTZDUSODABZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFNO4/c1-23(12-15-16(21)8-5-9-17(15)22)19(25)13-27-20(26)11-10-18(24)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3.
What are the key properties of [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate?
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate has a molecular weight of 391.83 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate is sourced from PubChem (CID 55325082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).