2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide

C19H20BrN3O2 — CID 9041183

IUPAC2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide
SMILESCN(CCOc1ccc(Br)cc1)CC(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C19H20BrN3O2/c1-23(12-13-25-18-8-4-16(20)5-9-18)14-19(24)22-17-6-2-15(3-7-17)10-11-21/h2-9H,10,12-14H2,1H3,(H,22,24)
InChIKeySBXUIYNFCNDQKM-UHFFFAOYSA-N
MW402.29 g/mol
LogP3.46
Rot. Bonds8

About 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide

2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide (PubChem CID 9041183) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide
PubChem CID9041183
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC Name2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide
SMILESCN(CCOc1ccc(Br)cc1)CC(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C19H20BrN3O2/c1-23(12-13-25-18-8-4-16(20)5-9-18)14-19(24)22-17-6-2-15(3-7-17)10-11-21/h2-9H,10,12-14H2,1H3,(H,22,24)
InChIKeySBXUIYNFCNDQKM-UHFFFAOYSA-N
XLogP3.46
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
CID 43374872
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 8941088
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9288795
N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9042633
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide
CID 9288819
2-[4-[2-(4-bromophenoxy)ethoxy]phenyl]acetonitrile
CID 43243666
N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054311
2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100800638
2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile
CID 61427477
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide
CID 4824875
2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252759

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide (CID 9041183) is 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide is CN(CCOc1ccc(Br)cc1)CC(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide?
The InChIKey is SBXUIYNFCNDQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c1-23(12-13-25-18-8-4-16(20)5-9-18)14-19(24)22-17-6-2-15(3-7-17)10-11-21/h2-9H,10,12-14H2,1H3,(H,22,24).
What are the key properties of 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide?
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide has a molecular weight of 402.29 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 9041183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).