2-(3-bromo-4-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide

C16H14BrClFNO — CID 55855519

IUPAC2-(3-bromo-4-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(F)c(Br)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H14BrClFNO/c1-10(12-3-2-4-13(18)9-12)20-16(21)8-11-5-6-15(19)14(17)7-11/h2-7,9-10H,8H2,1H3,(H,20,21)
InChIKeyVFSLFYSEAAZQBS-UHFFFAOYSA-N
MW370.65 g/mol
LogP4.66
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide

2-(3-bromo-4-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide (PubChem CID 55855519) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
PubChem CID55855519
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC Name2-(3-bromo-4-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(F)c(Br)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H14BrClFNO/c1-10(12-3-2-4-13(18)9-12)20-16(21)8-11-5-6-15(19)14(17)7-11/h2-7,9-10H,8H2,1H3,(H,20,21)
InChIKeyVFSLFYSEAAZQBS-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.65
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide (CID 55855519) is 2-(3-bromo-4-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide is CC(NC(=O)Cc1ccc(F)c(Br)c1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide?
The InChIKey is VFSLFYSEAAZQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c1-10(12-3-2-4-13(18)9-12)20-16(21)8-11-5-6-15(19)14(17)7-11/h2-7,9-10H,8H2,1H3,(H,20,21).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide?
2-(3-bromo-4-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide has a molecular weight of 370.65 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 55855519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).