methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate

C13H17FN2O3 — CID 60660462

IUPACmethyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C13H17FN2O3/c1-9-4-5-10(6-11(9)14)15-12(17)7-16(2)8-13(18)19-3/h4-6H,7-8H2,1-3H3,(H,15,17)
InChIKeyHFCVPYSWBYZFSS-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.18
Rot. Bonds5

About methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate

methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate (PubChem CID 60660462) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate
PubChem CID60660462
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C13H17FN2O3/c1-9-4-5-10(6-11(9)14)15-12(17)7-16(2)8-13(18)19-3/h4-6H,7-8H2,1-3H3,(H,15,17)
InChIKeyHFCVPYSWBYZFSS-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442693
N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683583
N-(3-fluoro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197824
N-(3-fluoro-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964620
N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 40714282
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9045618
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729092
methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660360
N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426089
2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 47533816
4-[[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123087
methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate
CID 60660384

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate (CID 60660462) is methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate is COC(=O)CN(C)CC(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate?
The InChIKey is HFCVPYSWBYZFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-9-4-5-10(6-11(9)14)15-12(17)7-16(2)8-13(18)19-3/h4-6H,7-8H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate?
methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate has a molecular weight of 268.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate is sourced from PubChem (CID 60660462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).