2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide

C14H15BrFNO2 — CID 78765407

IUPAC2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C14H15BrFNO2/c1-3-7-17(8-4-2)14(18)10-19-13-6-5-11(16)9-12(13)15/h3-6,9H,1-2,7-8,10H2
InChIKeyPWFFZNFSGKWYFZ-UHFFFAOYSA-N
MW328.18 g/mol
LogP3.17
Rot. Bonds7

About 2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide

2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide (PubChem CID 78765407) has the molecular formula C14H15BrFNO2 and a molecular weight of 328.18 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide
PubChem CID78765407
Molecular FormulaC14H15BrFNO2
Molecular Weight328.18 g/mol
Exact Mass327.03
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C14H15BrFNO2/c1-3-7-17(8-4-2)14(18)10-19-13-6-5-11(16)9-12(13)15/h3-6,9H,1-2,7-8,10H2
InChIKeyPWFFZNFSGKWYFZ-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 60653739
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-bromobenzoic acid
CID 103601808
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid
CID 43239764
2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide
CID 112774907
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-iodobenzoic acid
CID 78909445
2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide
CID 112786473
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60825836
2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115775828
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide
CID 7997320
1-(2-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 62031562
3-[[2-(2-bromo-4-fluorophenoxy)acetyl]-cyclopropylamino]propanoic acid
CID 60845240
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide
CID 7893883

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide (CID 78765407) is 2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)COc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is PWFFZNFSGKWYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO2/c1-3-7-17(8-4-2)14(18)10-19-13-6-5-11(16)9-12(13)15/h3-6,9H,1-2,7-8,10H2.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide?
2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 328.18 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 78765407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).