N-[3-(4-bromophenyl)-1-(4-fluorophenyl)-3-oxopropyl]acetamide

C17H15BrFNO2 — CID 44561093

IUPACN-[3-(4-bromophenyl)-1-(4-fluorophenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15BrFNO2/c1-11(21)20-16(12-4-8-15(19)9-5-12)10-17(22)13-2-6-14(18)7-3-13/h2-9,16H,10H2,1H3,(H,20,21)
InChIKeyJCLVJJROTLVOBB-UHFFFAOYSA-N
MW364.21 g/mol
LogP4.04
Rot. Bonds5

About N-[3-(4-bromophenyl)-1-(4-fluorophenyl)-3-oxopropyl]acetamide

N-[3-(4-bromophenyl)-1-(4-fluorophenyl)-3-oxopropyl]acetamide (PubChem CID 44561093) has the molecular formula C17H15BrFNO2 and a molecular weight of 364.21 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)-1-(4-fluorophenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)-1-(4-fluorophenyl)-3-oxopropyl]acetamide
PubChem CID44561093
Molecular FormulaC17H15BrFNO2
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC NameN-[3-(4-bromophenyl)-1-(4-fluorophenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15BrFNO2/c1-11(21)20-16(12-4-8-15(19)9-5-12)10-17(22)13-2-6-14(18)7-3-13/h2-9,16H,10H2,1H3,(H,20,21)
InChIKeyJCLVJJROTLVOBB-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Bromadoline
CID 54753
3-bromo-N-(4-phenylbutyl)benzamide
CID 2057509
N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide
CID 2798239
N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
3-fluoro-N-(4-phenylbutan-2-yl)benzamide
CID 2914829
n-Benzyl-4-bromobenzamide
CID 781117
N-benzyl-2-bromobenzamide
CID 687458
3-bromo-N-(3-phenylpropyl)benzamide
CID 2169887
4-fluoro-N-(4-phenylbutan-2-yl)benzamide
CID 2914288
2-bromo-N-(2-phenylethyl)benzamide
CID 673840
2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 821124
4-bromo-N-(4-phenylbutyl)benzamide
CID 2057443

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)-1-(4-fluorophenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-(4-bromophenyl)-1-(4-fluorophenyl)-3-oxopropyl]acetamide (CID 44561093) is N-[3-(4-bromophenyl)-1-(4-fluorophenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-(4-bromophenyl)-1-(4-fluorophenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-(4-bromophenyl)-1-(4-fluorophenyl)-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)c1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(4-bromophenyl)-1-(4-fluorophenyl)-3-oxopropyl]acetamide?
The InChIKey is JCLVJJROTLVOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO2/c1-11(21)20-16(12-4-8-15(19)9-5-12)10-17(22)13-2-6-14(18)7-3-13/h2-9,16H,10H2,1H3,(H,20,21).
What are the key properties of N-[3-(4-bromophenyl)-1-(4-fluorophenyl)-3-oxopropyl]acetamide?
N-[3-(4-bromophenyl)-1-(4-fluorophenyl)-3-oxopropyl]acetamide has a molecular weight of 364.21 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)-1-(4-fluorophenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 44561093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).