2-[(4-bromophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide

C17H18BrFN2O — CID 2503963

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(F)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H18BrFN2O/c1-21(11-14-2-6-15(18)7-3-14)12-17(22)20-10-13-4-8-16(19)9-5-13/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyGUVUHTMVVFVFMD-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.34
Rot. Bonds6

About 2-[(4-bromophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide

2-[(4-bromophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 2503963) has the molecular formula C17H18BrFN2O and a molecular weight of 365.25 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID2503963
Molecular FormulaC17H18BrFN2O
Molecular Weight365.25 g/mol
Exact Mass364.06
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(F)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H18BrFN2O/c1-21(11-14-2-6-15(18)7-3-14)12-17(22)20-10-13-4-8-16(19)9-5-13/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyGUVUHTMVVFVFMD-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.34
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-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 2503963) is 2-[(4-bromophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide is CN(CC(=O)NCc1ccc(F)cc1)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is GUVUHTMVVFVFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O/c1-21(11-14-2-6-15(18)7-3-14)12-17(22)20-10-13-4-8-16(19)9-5-13/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(4-bromophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 365.25 g/mol, XLogP of 3.34, 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-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 2503963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).