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

C16H15BrFNO — CID 133189879

IUPAC2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1cccc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C16H15BrFNO/c1-11(13-5-7-15(18)8-6-13)19-16(20)10-12-3-2-4-14(17)9-12/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyKUMHZXZRWXSZJM-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.01
Rot. Bonds4

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

2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 133189879) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID133189879
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1cccc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C16H15BrFNO/c1-11(13-5-7-15(18)8-6-13)19-16(20)10-12-3-2-4-14(17)9-12/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyKUMHZXZRWXSZJM-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-(3-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133202355
N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47097775
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 100701725
2-(3-fluorophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134045512
2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 100699011
N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide
CID 104873054
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78916745
2-(3-bromophenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125058838
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 133189879) is 2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide is CC(NC(=O)Cc1cccc(Br)c1)c1ccc(F)cc1.
What is the InChIKey of 2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is KUMHZXZRWXSZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-11(13-5-7-15(18)8-6-13)19-16(20)10-12-3-2-4-14(17)9-12/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of 2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]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 2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 133189879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).