N-(4-bromo-2-fluorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide

C16H15BrClFN2O — CID 2447513

IUPACN-(4-bromo-2-fluorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cc1F)Cc1cccc(Cl)c1
InChIInChI=1S/C16H15BrClFN2O/c1-21(9-11-3-2-4-13(18)7-11)10-16(22)20-15-6-5-12(17)8-14(15)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyDBULFEIGCKWKKG-UHFFFAOYSA-N
MW385.66 g/mol
LogP4.31
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide

N-(4-bromo-2-fluorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide (PubChem CID 2447513) has the molecular formula C16H15BrClFN2O and a molecular weight of 385.66 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
PubChem CID2447513
Molecular FormulaC16H15BrClFN2O
Molecular Weight385.66 g/mol
Exact Mass384.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cc1F)Cc1cccc(Cl)c1
InChIInChI=1S/C16H15BrClFN2O/c1-21(9-11-3-2-4-13(18)7-11)10-16(22)20-15-6-5-12(17)8-14(15)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyDBULFEIGCKWKKG-UHFFFAOYSA-N
XLogP4.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.66
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide (CID 2447513) is N-(4-bromo-2-fluorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(Br)cc1F)Cc1cccc(Cl)c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide?
The InChIKey is DBULFEIGCKWKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClFN2O/c1-21(9-11-3-2-4-13(18)7-11)10-16(22)20-15-6-5-12(17)8-14(15)19/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide has a molecular weight of 385.66 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 2447513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).