2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide

C19H23BrN2O — CID 4879719

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O/c1-4-16-7-5-6-14(2)19(16)21-18(23)13-22(3)12-15-8-10-17(20)11-9-15/h5-11H,4,12-13H2,1-3H3,(H,21,23)
InChIKeyFQEZPABSQGXNCR-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.39
Rot. Bonds6

About 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide

2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 4879719) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID4879719
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O/c1-4-16-7-5-6-14(2)19(16)21-18(23)13-22(3)12-15-8-10-17(20)11-9-15/h5-11H,4,12-13H2,1-3H3,(H,21,23)
InChIKeyFQEZPABSQGXNCR-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide (CID 4879719) is 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN(C)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is FQEZPABSQGXNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-4-16-7-5-6-14(2)19(16)21-18(23)13-22(3)12-15-8-10-17(20)11-9-15/h5-11H,4,12-13H2,1-3H3,(H,21,23).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 375.31 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 4879719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).