N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide

C11H11BrFNO2 — CID 115594649

IUPACN-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide
SMILESC=C(Br)CNC(=O)COc1cccc(F)c1
InChIInChI=1S/C11H11BrFNO2/c1-8(12)6-14-11(15)7-16-10-4-2-3-9(13)5-10/h2-5H,1,6-7H2,(H,14,15)
InChIKeyDIDFPZIGXKHEHF-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.23
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide

N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide (PubChem CID 115594649) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide
PubChem CID115594649
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC NameN-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide
SMILESC=C(Br)CNC(=O)COc1cccc(F)c1
InChIInChI=1S/C11H11BrFNO2/c1-8(12)6-14-11(15)7-16-10-4-2-3-9(13)5-10/h2-5H,1,6-7H2,(H,14,15)
InChIKeyDIDFPZIGXKHEHF-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide
CID 115594704
N-tert-butyl-2-[[2-(3-fluorophenoxy)acetyl]amino]acetamide
CID 41276805
2-(3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 9008020
2-(3-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106121345
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 62032120
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide
CID 110788271
2-(3-fluorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280490
N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110780897

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide (CID 115594649) is N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide is C=C(Br)CNC(=O)COc1cccc(F)c1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide?
The InChIKey is DIDFPZIGXKHEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c1-8(12)6-14-11(15)7-16-10-4-2-3-9(13)5-10/h2-5H,1,6-7H2,(H,14,15).
What are the key properties of N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide?
N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide has a molecular weight of 288.12 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 115594649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).