N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide

C13H17BrN4O3 — CID 9252567

IUPACN-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
SMILESCNC(=O)NC(=O)CN(C)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H17BrN4O3/c1-15-13(21)17-12(20)8-18(2)7-11(19)16-10-6-4-3-5-9(10)14/h3-6H,7-8H2,1-2H3,(H,16,19)(H2,15,17,20,21)
InChIKeyNKIJPMYFKQXDJD-UHFFFAOYSA-N
MW357.21 g/mol
LogP0.77
Rot. Bonds5

About N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide

N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide (PubChem CID 9252567) has the molecular formula C13H17BrN4O3 and a molecular weight of 357.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
PubChem CID9252567
Molecular FormulaC13H17BrN4O3
Molecular Weight357.21 g/mol
Exact Mass356.05
IUPAC NameN-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
SMILESCNC(=O)NC(=O)CN(C)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H17BrN4O3/c1-15-13(21)17-12(20)8-18(2)7-11(19)16-10-6-4-3-5-9(10)14/h3-6H,7-8H2,1-2H3,(H,16,19)(H2,15,17,20,21)
InChIKeyNKIJPMYFKQXDJD-UHFFFAOYSA-N
XLogP0.77
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
N-(2-bromophenyl)-2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 9252556
methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9252610
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
N-(2,3-dimethylphenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9287446
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
CID 9252643
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 17436271
N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 24681253
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide
CID 111858986
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N-(2-bromophenyl)acetamide
CID 54991682

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide (CID 9252567) is N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide is CNC(=O)NC(=O)CN(C)CC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide?
The InChIKey is NKIJPMYFKQXDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O3/c1-15-13(21)17-12(20)8-18(2)7-11(19)16-10-6-4-3-5-9(10)14/h3-6H,7-8H2,1-2H3,(H,16,19)(H2,15,17,20,21).
What are the key properties of N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide?
N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide has a molecular weight of 357.21 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 9252567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).