methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate

C12H15BrN2O3 — CID 60660384

IUPACmethyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O3/c1-15(8-12(17)18-2)7-11(16)14-10-5-3-4-9(13)6-10/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKeySZIVGXYWYOWAPK-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.49
Rot. Bonds5

About methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate

methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate (PubChem CID 60660384) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate
PubChem CID60660384
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Namemethyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O3/c1-15(8-12(17)18-2)7-11(16)14-10-5-3-4-9(13)6-10/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKeySZIVGXYWYOWAPK-UHFFFAOYSA-N
XLogP1.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658798
N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030
2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide
CID 43458595
N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054405
methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63383294
methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660462
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide
CID 113160547
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2491478
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 2657702
methyl 2-[(3-bromophenyl)carbamoylamino]acetate
CID 108870222
2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide
CID 113158461

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate (CID 60660384) is methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate is COC(=O)CN(C)CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate?
The InChIKey is SZIVGXYWYOWAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-15(8-12(17)18-2)7-11(16)14-10-5-3-4-9(13)6-10/h3-6H,7-8H2,1-2H3,(H,14,16).
What are the key properties of methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate?
methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate has a molecular weight of 315.17 g/mol, XLogP of 1.49, 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-bromoanilino)-2-oxoethyl]-methylamino]acetate is sourced from PubChem (CID 60660384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).