2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide

C17H14BrClN2O2 — CID 7629417

IUPAC2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C17H14BrClN2O2/c1-11-8-13(18)9-15(19)17(11)23-10-16(22)21-14-4-2-12(3-5-14)6-7-20/h2-5,8-9H,6,10H2,1H3,(H,21,22)
InChIKeyQYNYRSWWLZSPHG-UHFFFAOYSA-N
MW393.67 g/mol
LogP4.49
Rot. Bonds5

About 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide

2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide (PubChem CID 7629417) has the molecular formula C17H14BrClN2O2 and a molecular weight of 393.67 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
PubChem CID7629417
Molecular FormulaC17H14BrClN2O2
Molecular Weight393.67 g/mol
Exact Mass391.99
IUPAC Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C17H14BrClN2O2/c1-11-8-13(18)9-15(19)17(11)23-10-16(22)21-14-4-2-12(3-5-14)6-7-20/h2-5,8-9H,6,10H2,1H3,(H,21,22)
InChIKeyQYNYRSWWLZSPHG-UHFFFAOYSA-N
XLogP4.49
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.67
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 25333210
N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 2610777
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7290642
2-(4-bromo-2-formylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8862958
2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8977298
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2620897
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17097648
N-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 9260247
N-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 7233534
ethyl 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]benzoate
CID 3337210
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide (CID 7629417) is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide is Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide?
The InChIKey is QYNYRSWWLZSPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O2/c1-11-8-13(18)9-15(19)17(11)23-10-16(22)21-14-4-2-12(3-5-14)6-7-20/h2-5,8-9H,6,10H2,1H3,(H,21,22).
What are the key properties of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide?
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide has a molecular weight of 393.67 g/mol, XLogP of 4.49, 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-[4-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 7629417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).