N-(benzylcarbamoyl)-2-(2-bromo-4-chlorophenoxy)acetamide

C16H14BrClN2O3 — CID 2627425

IUPACN-(benzylcarbamoyl)-2-(2-bromo-4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NC(=O)NCc1ccccc1
InChIInChI=1S/C16H14BrClN2O3/c17-13-8-12(18)6-7-14(13)23-10-15(21)20-16(22)19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,19,20,21,22)
InChIKeyPJIXKRXOTNBRNV-UHFFFAOYSA-N
MW397.66 g/mol
LogP3.51
Rot. Bonds5

About N-(benzylcarbamoyl)-2-(2-bromo-4-chlorophenoxy)acetamide

N-(benzylcarbamoyl)-2-(2-bromo-4-chlorophenoxy)acetamide (PubChem CID 2627425) has the molecular formula C16H14BrClN2O3 and a molecular weight of 397.66 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(2-bromo-4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(2-bromo-4-chlorophenoxy)acetamide
PubChem CID2627425
Molecular FormulaC16H14BrClN2O3
Molecular Weight397.66 g/mol
Exact Mass395.99
IUPAC NameN-(benzylcarbamoyl)-2-(2-bromo-4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NC(=O)NCc1ccccc1
InChIInChI=1S/C16H14BrClN2O3/c17-13-8-12(18)6-7-14(13)23-10-15(21)20-16(22)19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,19,20,21,22)
InChIKeyPJIXKRXOTNBRNV-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-chlorophenoxy)acetamide
CID 2791617
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 24687293
2-(2-bromo-4-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide
CID 4313650
N-(benzylcarbamoyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 2083878
N-(benzylcarbamoyl)-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2565134
Cambridge id 6635491
CID 2081550
N-benzyl-2-(2-bromophenoxy)acetamide
CID 2072955
2-(2-bromo-4-chlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 2185674
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
N-benzyl-3-(2-bromo-4-chlorophenoxy)propan-1-amine
CID 2183563
2-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethylcarbamoyl)acetamide
CID 17425124
2-(2-Bromo-4-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 22264288

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(2-bromo-4-chlorophenoxy)acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(2-bromo-4-chlorophenoxy)acetamide (CID 2627425) is N-(benzylcarbamoyl)-2-(2-bromo-4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(2-bromo-4-chlorophenoxy)acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(2-bromo-4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1Br)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-(2-bromo-4-chlorophenoxy)acetamide?
The InChIKey is PJIXKRXOTNBRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O3/c17-13-8-12(18)6-7-14(13)23-10-15(21)20-16(22)19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,19,20,21,22).
What are the key properties of N-(benzylcarbamoyl)-2-(2-bromo-4-chlorophenoxy)acetamide?
N-(benzylcarbamoyl)-2-(2-bromo-4-chlorophenoxy)acetamide has a molecular weight of 397.66 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(2-bromo-4-chlorophenoxy)acetamide is sourced from PubChem (CID 2627425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).