N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide

C16H15BrFNO — CID 47097775

IUPACN-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrFNO/c1-11(13-4-6-14(17)7-5-13)19-16(20)10-12-2-8-15(18)9-3-12/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyFTRNVQBBZRZBBK-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.01
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide

N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 47097775) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID47097775
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrFNO/c1-11(13-4-6-14(17)7-5-13)19-16(20)10-12-2-8-15(18)9-3-12/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyFTRNVQBBZRZBBK-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
2-[(4-bromophenyl)methylsulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28634214
2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133189879
2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096212
N-[1-(4-bromophenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 43872619
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 7948932
N-[1-(4-fluorophenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 133260923
methyl 2-[4-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]acetate
CID 94014472
N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 47106591

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide (CID 47097775) is N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide is CC(NC(=O)Cc1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is FTRNVQBBZRZBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-11(13-4-6-14(17)7-5-13)19-16(20)10-12-2-8-15(18)9-3-12/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide?
N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 336.20 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 47097775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).