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

C16H14BrClN2O3 — CID 8807740

IUPAC4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C16H14BrClN2O3/c1-19-16(22)10-2-5-12(6-3-10)20-15(21)9-23-14-7-4-11(18)8-13(14)17/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyIDSSJKJZTWTIPB-UHFFFAOYSA-N
MW397.66 g/mol
LogP3.48
Rot. Bonds5

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

4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide (PubChem CID 8807740) has the molecular formula C16H14BrClN2O3 and a molecular weight of 397.66 g/mol. Its IUPAC name is 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
PubChem CID8807740
Molecular FormulaC16H14BrClN2O3
Molecular Weight397.66 g/mol
Exact Mass395.99
IUPAC Name4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C16H14BrClN2O3/c1-19-16(22)10-2-5-12(6-3-10)20-15(21)9-23-14-7-4-11(18)8-13(14)17/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyIDSSJKJZTWTIPB-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.66
LogP ≤ 53.48
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
N-[4-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]propanamide
CID 5229018
ethyl 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 5254135
2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7708017
2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide
CID 5229732
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 29276938
N-[4-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 5120298
2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340191
2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 46799156
4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide
CID 9230997
4-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 9286555
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide (CID 8807740) is 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide?
The InChIKey is IDSSJKJZTWTIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O3/c1-19-16(22)10-2-5-12(6-3-10)20-15(21)9-23-14-7-4-11(18)8-13(14)17/h2-8H,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide?
4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide has a molecular weight of 397.66 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 8807740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).