2-bromo-6-fluoro-N-prop-2-enylbenzamide

C10H9BrFNO — CID 115678484

IUPAC2-bromo-6-fluoro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1c(F)cccc1Br
InChIInChI=1S/C10H9BrFNO/c1-2-6-13-10(14)9-7(11)4-3-5-8(9)12/h2-5H,1,6H2,(H,13,14)
InChIKeyBXFXWOGFGJIEEX-UHFFFAOYSA-N
MW258.09 g/mol
LogP2.50
Rot. Bonds3

About 2-bromo-6-fluoro-N-prop-2-enylbenzamide

2-bromo-6-fluoro-N-prop-2-enylbenzamide (PubChem CID 115678484) has the molecular formula C10H9BrFNO and a molecular weight of 258.09 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-prop-2-enylbenzamide
PubChem CID115678484
Molecular FormulaC10H9BrFNO
Molecular Weight258.09 g/mol
Exact Mass256.99
IUPAC Name2-bromo-6-fluoro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1c(F)cccc1Br
InChIInChI=1S/C10H9BrFNO/c1-2-6-13-10(14)9-7(11)4-3-5-8(9)12/h2-5H,1,6H2,(H,13,14)
InChIKeyBXFXWOGFGJIEEX-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-prop-2-enylbenzamide
CID 4125319
2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide
CID 114559340
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075
N-(2-amino-2-sulfanylideneethyl)-2-bromo-6-fluorobenzamide
CID 114559233
2-bromo-6-fluoro-N-(3-methylsulfinylpropyl)benzamide
CID 115679027
1-(2-bromo-6-fluorophenyl)prop-2-en-1-one
CID 114885459
methyl 3-[(2-bromo-6-fluorobenzoyl)amino]propanoate
CID 115678601
2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride
CID 119509128
2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231275
2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 115687343
2-bromo-N-(2-ethyl-2-hydroxybutyl)-6-fluorobenzamide
CID 111780819
2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-prop-2-enylbenzamide?
The IUPAC name of 2-bromo-6-fluoro-N-prop-2-enylbenzamide (CID 115678484) is 2-bromo-6-fluoro-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-prop-2-enylbenzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-prop-2-enylbenzamide is C=CCNC(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-prop-2-enylbenzamide?
The InChIKey is BXFXWOGFGJIEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO/c1-2-6-13-10(14)9-7(11)4-3-5-8(9)12/h2-5H,1,6H2,(H,13,14).
What are the key properties of 2-bromo-6-fluoro-N-prop-2-enylbenzamide?
2-bromo-6-fluoro-N-prop-2-enylbenzamide has a molecular weight of 258.09 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-prop-2-enylbenzamide is sourced from PubChem (CID 115678484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).