2-[2-bromo-4-[(cyclopentylamino)methyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide

C22H27BrN2O3 — CID 2236530

IUPAC2-[2-bromo-4-[(cyclopentylamino)methyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide
SMILESCOc1cc(CNC2CCCC2)cc(Br)c1OCC(=O)Nc1ccccc1C
InChIInChI=1S/C22H27BrN2O3/c1-15-7-3-6-10-19(15)25-21(26)14-28-22-18(23)11-16(12-20(22)27-2)13-24-17-8-4-5-9-17/h3,6-7,10-12,17,24H,4-5,8-9,13-14H2,1-2H3,(H,25,26)
InChIKeyMYECUKZYIIURTN-UHFFFAOYSA-N
MW447.37 g/mol
LogP4.82
Rot. Bonds8

About 2-[2-bromo-4-[(cyclopentylamino)methyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide

2-[2-bromo-4-[(cyclopentylamino)methyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide (PubChem CID 2236530) has the molecular formula C22H27BrN2O3 and a molecular weight of 447.37 g/mol. Its IUPAC name is 2-[2-bromo-4-[(cyclopentylamino)methyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-bromo-4-[(cyclopentylamino)methyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide
PubChem CID2236530
Molecular FormulaC22H27BrN2O3
Molecular Weight447.37 g/mol
Exact Mass446.12
IUPAC Name2-[2-bromo-4-[(cyclopentylamino)methyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide
SMILESCOc1cc(CNC2CCCC2)cc(Br)c1OCC(=O)Nc1ccccc1C
InChIInChI=1S/C22H27BrN2O3/c1-15-7-3-6-10-19(15)25-21(26)14-28-22-18(23)11-16(12-20(22)27-2)13-24-17-8-4-5-9-17/h3,6-7,10-12,17,24H,4-5,8-9,13-14H2,1-2H3,(H,25,26)
InChIKeyMYECUKZYIIURTN-UHFFFAOYSA-N
XLogP4.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide
CID 43622417
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 1008844
2-[2-bromo-4-(hydroxyiminomethyl)-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 57365555
2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 979929
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 4720191
2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide
CID 169386318
2-[2-bromo-6-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539242
2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 17213450
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine
CID 4721583
2-[2-bromo-4-[(3,4-dimethylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539260
N-[(3,5-dibromo-4-methoxyphenyl)methyl]cycloheptanamine
CID 29223558
N-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopentanamine
CID 17056841

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[(cyclopentylamino)methyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[2-bromo-4-[(cyclopentylamino)methyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide (CID 2236530) is 2-[2-bromo-4-[(cyclopentylamino)methyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-bromo-4-[(cyclopentylamino)methyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-bromo-4-[(cyclopentylamino)methyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide is COc1cc(CNC2CCCC2)cc(Br)c1OCC(=O)Nc1ccccc1C.
What is the InChIKey of 2-[2-bromo-4-[(cyclopentylamino)methyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide?
The InChIKey is MYECUKZYIIURTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O3/c1-15-7-3-6-10-19(15)25-21(26)14-28-22-18(23)11-16(12-20(22)27-2)13-24-17-8-4-5-9-17/h3,6-7,10-12,17,24H,4-5,8-9,13-14H2,1-2H3,(H,25,26).
What are the key properties of 2-[2-bromo-4-[(cyclopentylamino)methyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide?
2-[2-bromo-4-[(cyclopentylamino)methyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide has a molecular weight of 447.37 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-[(cyclopentylamino)methyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 2236530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).