2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide

C16H16BrN3O2 — CID 26543564

IUPAC2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C16H16BrN3O2/c1-18-16(22)11-6-2-4-8-13(11)19-10-15(21)20-14-9-5-3-7-12(14)17/h2-9,19H,10H2,1H3,(H,18,22)(H,20,21)
InChIKeyNQOXKOSAWXALPI-UHFFFAOYSA-N
MW362.23 g/mol
LogP2.86
Rot. Bonds5

About 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide

2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide (PubChem CID 26543564) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide
PubChem CID26543564
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C16H16BrN3O2/c1-18-16(22)11-6-2-4-8-13(11)19-10-15(21)20-14-9-5-3-7-12(14)17/h2-9,19H,10H2,1H3,(H,18,22)(H,20,21)
InChIKeyNQOXKOSAWXALPI-UHFFFAOYSA-N
XLogP2.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide 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

methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate
CID 37472062
N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 55446317
2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 38253484
methyl 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-methylbenzoate
CID 34075251
N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079697
2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543572
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543586
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543562
2-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 26543694
N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide
CID 109008293
N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide
CID 28580893
N-methyl-2-(3-oxobutanoylamino)benzamide
CID 43579628

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide (CID 26543564) is 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1NCC(=O)Nc1ccccc1Br.
What is the InChIKey of 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The InChIKey is NQOXKOSAWXALPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-18-16(22)11-6-2-4-8-13(11)19-10-15(21)20-14-9-5-3-7-12(14)17/h2-9,19H,10H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide?
2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide has a molecular weight of 362.23 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide is sourced from PubChem (CID 26543564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).