methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate

C13H16BrN3O4 — CID 9252610

IUPACmethyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H16BrN3O4/c1-17(8-12(19)16-13(20)21-2)7-11(18)15-10-6-4-3-5-9(10)14/h3-6H,7-8H2,1-2H3,(H,15,18)(H,16,19,20)
InChIKeyIUKQOHKDVAQCIW-UHFFFAOYSA-N
MW358.19 g/mol
LogP1.20
Rot. Bonds5

About methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate

methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate (PubChem CID 9252610) has the molecular formula C13H16BrN3O4 and a molecular weight of 358.19 g/mol. Its IUPAC name is methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
PubChem CID9252610
Molecular FormulaC13H16BrN3O4
Molecular Weight358.19 g/mol
Exact Mass357.03
IUPAC Namemethyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H16BrN3O4/c1-17(8-12(19)16-13(20)21-2)7-11(18)15-10-6-4-3-5-9(10)14/h3-6H,7-8H2,1-2H3,(H,15,18)(H,16,19,20)
InChIKeyIUKQOHKDVAQCIW-UHFFFAOYSA-N
XLogP1.20
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate with MolForge

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Related Compounds

N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9252567
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate
CID 9286444
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 17436271
N-(2-bromophenyl)-2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 9252556
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
[2-(2-bromoanilino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
CID 9252609
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
CID 9252643
methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9221932
N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 24681253
ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9036414

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate?
The IUPAC name of methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate (CID 9252610) is methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate.
What is the SMILES notation for methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate?
The canonical SMILES for methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate is COC(=O)NC(=O)CN(C)CC(=O)Nc1ccccc1Br.
What is the InChIKey of methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate?
The InChIKey is IUKQOHKDVAQCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O4/c1-17(8-12(19)16-13(20)21-2)7-11(18)15-10-6-4-3-5-9(10)14/h3-6H,7-8H2,1-2H3,(H,15,18)(H,16,19,20).
What are the key properties of methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate?
methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate has a molecular weight of 358.19 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate is sourced from PubChem (CID 9252610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).