N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide

C15H12BrClFNO — CID 55593774

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1cc(Br)ccc1F
InChIInChI=1S/C15H12BrClFNO/c16-12-3-6-14(18)11(8-12)9-19-15(20)7-10-1-4-13(17)5-2-10/h1-6,8H,7,9H2,(H,19,20)
InChIKeyNUWBEXMECHOCFC-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.10
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide

N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide (PubChem CID 55593774) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide
PubChem CID55593774
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1cc(Br)ccc1F
InChIInChI=1S/C15H12BrClFNO/c16-12-3-6-14(18)11(8-12)9-19-15(20)7-10-1-4-13(17)5-2-10/h1-6,8H,7,9H2,(H,19,20)
InChIKeyNUWBEXMECHOCFC-UHFFFAOYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide (CID 55593774) is N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is NUWBEXMECHOCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c16-12-3-6-14(18)11(8-12)9-19-15(20)7-10-1-4-13(17)5-2-10/h1-6,8H,7,9H2,(H,19,20).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 356.62 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 55593774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).