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

C15H13BrClNO2 — CID 2906661

IUPACN-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NCc1ccccc1
InChIInChI=1S/C15H13BrClNO2/c16-12-6-7-14(13(17)8-12)20-10-15(19)18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)
InChIKeyKDIFTUAALLWQOZ-UHFFFAOYSA-N
MW354.63 g/mol
LogP3.80
Rot. Bonds5

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

N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide (PubChem CID 2906661) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
PubChem CID2906661
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC NameN-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NCc1ccccc1
InChIInChI=1S/C15H13BrClNO2/c16-12-6-7-14(13(17)8-12)20-10-15(19)18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)
InChIKeyKDIFTUAALLWQOZ-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1287772
2-(2-amino-4-bromophenoxy)-N-benzylacetamide
CID 65429040
2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 27893473
2-(4-bromo-2-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767851
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 60608572
2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7809627
2-[2-(benzylamino)-2-oxoethoxy]-5-chlorobenzoic acid
CID 45417869
(2S)-3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 107833666
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929767
2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 17142159
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037
N-benzyl-3-(4-bromo-2-chlorophenoxy)propan-1-amine;oxalic acid
CID 2935175

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide?
The IUPAC name of N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide (CID 2906661) is N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide.
What is the SMILES notation for N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide?
The canonical SMILES for N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide is O=C(COc1ccc(Br)cc1Cl)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide?
The InChIKey is KDIFTUAALLWQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c16-12-6-7-14(13(17)8-12)20-10-15(19)18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide?
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide has a molecular weight of 354.63 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide is sourced from PubChem (CID 2906661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).