N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide

C24H23BrN2O3 — CID 4937395

IUPACN-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H23BrN2O3/c1-17-14-19(25)12-13-22(17)30-16-23(28)26-21-11-7-6-10-20(21)24(29)27(2)15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3,(H,26,28)
InChIKeyWTVFWEABVPWVTM-UHFFFAOYSA-N
MW467.36 g/mol
LogP5.05
Rot. Bonds7

About N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide

N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide (PubChem CID 4937395) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
PubChem CID4937395
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC NameN-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H23BrN2O3/c1-17-14-19(25)12-13-22(17)30-16-23(28)26-21-11-7-6-10-20(21)24(29)27(2)15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3,(H,26,28)
InChIKeyWTVFWEABVPWVTM-UHFFFAOYSA-N
XLogP5.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 4937312
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949446
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
CID 17354006
N-benzyl-2-[(2-methoxyacetyl)amino]-N-methylbenzamide
CID 17311924
N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1328492
N-benzyl-N-methyl-2-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 4937337
2-(4-bromo-2-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 1328520
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
CID 45426301
N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17233521
N-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-5-bromo-2-butoxybenzamide
CID 17350497
2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide
CID 17086029
4-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5176598

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide?
The IUPAC name of N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide (CID 4937395) is N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide is Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide?
The InChIKey is WTVFWEABVPWVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-17-14-19(25)12-13-22(17)30-16-23(28)26-21-11-7-6-10-20(21)24(29)27(2)15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3,(H,26,28).
What are the key properties of N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide?
N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide has a molecular weight of 467.36 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 4937395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).