methyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate

C14H18ClFN2O3 — CID 86788219

IUPACmethyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate
SMILESCNC(=O)CCN(C)C(C(=O)OC)c1c(F)cccc1Cl
InChIInChI=1S/C14H18ClFN2O3/c1-17-11(19)7-8-18(2)13(14(20)21-3)12-9(15)5-4-6-10(12)16/h4-6,13H,7-8H2,1-3H3,(H,17,19)
InChIKeyJFNJGKLNNZTYGD-UHFFFAOYSA-N
MW316.76 g/mol
LogP1.76
Rot. Bonds6

About methyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate

methyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate (PubChem CID 86788219) has the molecular formula C14H18ClFN2O3 and a molecular weight of 316.76 g/mol. Its IUPAC name is methyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate
PubChem CID86788219
Molecular FormulaC14H18ClFN2O3
Molecular Weight316.76 g/mol
Exact Mass316.10
IUPAC Namemethyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate
SMILESCNC(=O)CCN(C)C(C(=O)OC)c1c(F)cccc1Cl
InChIInChI=1S/C14H18ClFN2O3/c1-17-11(19)7-8-18(2)13(14(20)21-3)12-9(15)5-4-6-10(12)16/h4-6,13H,7-8H2,1-3H3,(H,17,19)
InChIKeyJFNJGKLNNZTYGD-UHFFFAOYSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid
CID 93280060
2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 71874577
(2R)-2-(2-chloro-6-fluorophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]acetic acid
CID 164642080
methyl 2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-oxobutanoate
CID 3468633
methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60991814
methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60994408
dimethyl 2-[(2-chloro-6-fluorophenyl)methyl]propanedioate
CID 94283457
(2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 99783779
ethyl 2-[[(2-chloro-6-fluorophenyl)-cyanomethyl]amino]acetate
CID 112500791
1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271044
3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide
CID 106914505
ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 104816553

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate?
The IUPAC name of methyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate (CID 86788219) is methyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate.
What is the SMILES notation for methyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate?
The canonical SMILES for methyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate is CNC(=O)CCN(C)C(C(=O)OC)c1c(F)cccc1Cl.
What is the InChIKey of methyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate?
The InChIKey is JFNJGKLNNZTYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O3/c1-17-11(19)7-8-18(2)13(14(20)21-3)12-9(15)5-4-6-10(12)16/h4-6,13H,7-8H2,1-3H3,(H,17,19).
What are the key properties of methyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate?
methyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate has a molecular weight of 316.76 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate is sourced from PubChem (CID 86788219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).