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

C16H15BrFNO2 — CID 9220031

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C16H15BrFNO2/c1-11(14-4-2-3-5-15(14)17)19-16(20)10-21-13-8-6-12(18)7-9-13/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyHUGFAFOKBOQHBA-NSHDSACASA-N
MW352.20 g/mol
LogP3.84
Rot. Bonds5

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

N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 9220031) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide
PubChem CID9220031
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C16H15BrFNO2/c1-11(14-4-2-3-5-15(14)17)19-16(20)10-21-13-8-6-12(18)7-9-13/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyHUGFAFOKBOQHBA-NSHDSACASA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenoxy)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 61117701
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 8759784
2-(4-fluorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144558
methyl 4-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7965082
N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 16548375
N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16548373
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 8759816
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 9220108
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 9220109
2-(2-bromophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42980776
2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 9090585
N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81396707

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide (CID 9220031) is N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide is C[C@H](NC(=O)COc1ccc(F)cc1)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is HUGFAFOKBOQHBA-NSHDSACASA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-11(14-4-2-3-5-15(14)17)19-16(20)10-21-13-8-6-12(18)7-9-13/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide?
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 352.20 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 9220031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).