2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide

C15H14BrClN2O2 — CID 17401622

IUPAC2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)NCc1cccnc1
InChIInChI=1S/C15H14BrClN2O2/c1-10-5-12(16)6-13(17)15(10)21-9-14(20)19-8-11-3-2-4-18-7-11/h2-7H,8-9H2,1H3,(H,19,20)
InChIKeyVIVZPPMYVZCQHC-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.50
Rot. Bonds5

About 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 17401622) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID17401622
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)NCc1cccnc1
InChIInChI=1S/C15H14BrClN2O2/c1-10-5-12(16)6-13(17)15(10)21-9-14(20)19-8-11-3-2-4-18-7-11/h2-7H,8-9H2,1H3,(H,19,20)
InChIKeyVIVZPPMYVZCQHC-UHFFFAOYSA-N
XLogP3.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 17199667
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132
2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999536
2-(2,4-dichloro-6-methylphenoxy)-N-pyridin-3-ylacetamide
CID 738217
2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide
CID 9163241
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7290642
N-benzyl-4-[2-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 2215513
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
CID 142612479
3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 127122248
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 4813283

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide (CID 17401622) is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide is Cc1cc(Br)cc(Cl)c1OCC(=O)NCc1cccnc1.
What is the InChIKey of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is VIVZPPMYVZCQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-10-5-12(16)6-13(17)15(10)21-9-14(20)19-8-11-3-2-4-18-7-11/h2-7H,8-9H2,1H3,(H,19,20).
What are the key properties of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide?
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 369.65 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 17401622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).