2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide

C17H16BrClN2O3 — CID 35365453

IUPAC2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C17H16BrClN2O3/c1-20-16(22)8-11-2-5-13(6-3-11)21-17(23)10-24-15-7-4-12(18)9-14(15)19/h2-7,9H,8,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyJWMKWXBQFXHXQO-UHFFFAOYSA-N
MW411.68 g/mol
LogP3.41
Rot. Bonds6

About 2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide

2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide (PubChem CID 35365453) has the molecular formula C17H16BrClN2O3 and a molecular weight of 411.68 g/mol. Its IUPAC name is 2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide
PubChem CID35365453
Molecular FormulaC17H16BrClN2O3
Molecular Weight411.68 g/mol
Exact Mass410.00
IUPAC Name2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C17H16BrClN2O3/c1-20-16(22)8-11-2-5-13(6-3-11)21-17(23)10-24-15-7-4-12(18)9-14(15)19/h2-7,9H,8,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyJWMKWXBQFXHXQO-UHFFFAOYSA-N
XLogP3.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.68
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 9289895
2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 1015139
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide
CID 17234319
2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7313472
2-(4-bromo-2-chlorophenoxy)-N-(4-butan-2-ylphenyl)acetamide
CID 4623642
2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 5180817
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35364916
ethyl 5-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-chlorobenzoate
CID 92646634
2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide
CID 39680657
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 16528162
4-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 3650888
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide (CID 35365453) is 2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide?
The InChIKey is JWMKWXBQFXHXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O3/c1-20-16(22)8-11-2-5-13(6-3-11)21-17(23)10-24-15-7-4-12(18)9-14(15)19/h2-7,9H,8,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide?
2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide has a molecular weight of 411.68 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 35365453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).