N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide

C17H17BrFNO2 — CID 8802046

IUPACN-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide
SMILESCC[C@H](NC(=O)COc1cccc(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrFNO2/c1-2-16(12-6-8-13(18)9-7-12)20-17(21)11-22-15-5-3-4-14(19)10-15/h3-10,16H,2,11H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyDNTFAPWWDJXFPK-INIZCTEOSA-N
MW366.23 g/mol
LogP4.23
Rot. Bonds6

About N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide

N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide (PubChem CID 8802046) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide
PubChem CID8802046
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC NameN-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide
SMILESCC[C@H](NC(=O)COc1cccc(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrFNO2/c1-2-16(12-6-8-13(18)9-7-12)20-17(21)11-22-15-5-3-4-14(19)10-15/h3-10,16H,2,11H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyDNTFAPWWDJXFPK-INIZCTEOSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18192757
N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide
CID 46448423
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
N-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide
CID 47011877
2-(4-bromophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191464
2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 9296856
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924
2-(2-bromo-4-fluorophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18115468
N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182
(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107563444
N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 78760781
2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28636573

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide (CID 8802046) is N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide is CC[C@H](NC(=O)COc1cccc(F)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide?
The InChIKey is DNTFAPWWDJXFPK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-2-16(12-6-8-13(18)9-7-12)20-17(21)11-22-15-5-3-4-14(19)10-15/h3-10,16H,2,11H2,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide?
N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide has a molecular weight of 366.23 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 8802046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).