2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide

C19H22BrN3O2 — CID 26017539

IUPAC2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C19H22BrN3O2/c1-13(2)11-22-19(25)16-5-3-4-6-17(16)23-18(24)12-21-15-9-7-14(20)8-10-15/h3-10,13,21H,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMCMRTDOYULQSLP-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.89
Rot. Bonds7

About 2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 26017539) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID26017539
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC Name2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C19H22BrN3O2/c1-13(2)11-22-19(25)16-5-3-4-6-17(16)23-18(24)12-21-15-9-7-14(20)8-10-15/h3-10,13,21H,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMCMRTDOYULQSLP-UHFFFAOYSA-N
XLogP3.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 55446317
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 60536621
2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34068641
diethyl 5-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzene-1,3-dicarboxylate
CID 55436811
N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 60537365
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride
CID 119684657
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 55565900
2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7492494
N-(2-methylpropyl)-2-[4-(4-nitroanilino)butanoylamino]benzamide
CID 34731348

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide (CID 26017539) is 2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)CNc1ccc(Br)cc1.
What is the InChIKey of 2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is MCMRTDOYULQSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-13(2)11-22-19(25)16-5-3-4-6-17(16)23-18(24)12-21-15-9-7-14(20)8-10-15/h3-10,13,21H,11-12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 404.31 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 26017539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).