N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide

C18H17BrN2O3 — CID 7993139

IUPACN-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C18H17BrN2O3/c1-3-23-17-9-13(10-20)4-7-16(17)24-11-18(22)21-15-6-5-14(19)8-12(15)2/h4-9H,3,11H2,1-2H3,(H,21,22)
InChIKeyJEQQOKUESVQBSA-UHFFFAOYSA-N
MW389.25 g/mol
LogP4.05
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide

N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide (PubChem CID 7993139) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
PubChem CID7993139
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C18H17BrN2O3/c1-3-23-17-9-13(10-20)4-7-16(17)24-11-18(22)21-15-6-5-14(19)8-12(15)2/h4-9H,3,11H2,1-2H3,(H,21,22)
InChIKeyJEQQOKUESVQBSA-UHFFFAOYSA-N
XLogP4.05
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 46421737
2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 7993287
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 7992848
4-[2-(4-bromophenyl)-2-oxoethoxy]-3-ethoxybenzonitrile
CID 7993336
N-(2-chloro-3-pyridinyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7992846
2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 5180819
2-(4-cyano-2-methoxyphenoxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 2976145
N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993191
2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 19227918
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 23935761
N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 7252194

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide (CID 7993139) is N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide is CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide?
The InChIKey is JEQQOKUESVQBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-3-23-17-9-13(10-20)4-7-16(17)24-11-18(22)21-15-6-5-14(19)8-12(15)2/h4-9H,3,11H2,1-2H3,(H,21,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide?
N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide has a molecular weight of 389.25 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 7993139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).