N-[(Z)-1-(4-bromo-2-fluorophenyl)prop-1-enyl]acetamide

C11H11BrFNO — CID 163537891

IUPACN-[(Z)-1-(4-bromo-2-fluorophenyl)prop-1-enyl]acetamide
SMILESC/C=C(\NC(C)=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H11BrFNO/c1-3-11(14-7(2)15)9-5-4-8(12)6-10(9)13/h3-6H,1-2H3,(H,14,15)/b11-3-
InChIKeyDYORYWRRRNIMDP-JYOAFUTRSA-N
MW272.12 g/mol
LogP3.09
Rot. Bonds2

About N-[(Z)-1-(4-bromo-2-fluorophenyl)prop-1-enyl]acetamide

N-[(Z)-1-(4-bromo-2-fluorophenyl)prop-1-enyl]acetamide (PubChem CID 163537891) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is N-[(Z)-1-(4-bromo-2-fluorophenyl)prop-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-bromo-2-fluorophenyl)prop-1-enyl]acetamide
PubChem CID163537891
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC NameN-[(Z)-1-(4-bromo-2-fluorophenyl)prop-1-enyl]acetamide
SMILESC/C=C(\NC(C)=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H11BrFNO/c1-3-11(14-7(2)15)9-5-4-8(12)6-10(9)13/h3-6H,1-2H3,(H,14,15)/b11-3-
InChIKeyDYORYWRRRNIMDP-JYOAFUTRSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-bromo-2-fluorophenyl)prop-1-enyl]acetamide?
The IUPAC name of N-[(Z)-1-(4-bromo-2-fluorophenyl)prop-1-enyl]acetamide (CID 163537891) is N-[(Z)-1-(4-bromo-2-fluorophenyl)prop-1-enyl]acetamide.
What is the SMILES notation for N-[(Z)-1-(4-bromo-2-fluorophenyl)prop-1-enyl]acetamide?
The canonical SMILES for N-[(Z)-1-(4-bromo-2-fluorophenyl)prop-1-enyl]acetamide is C/C=C(\NC(C)=O)c1ccc(Br)cc1F.
What is the InChIKey of N-[(Z)-1-(4-bromo-2-fluorophenyl)prop-1-enyl]acetamide?
The InChIKey is DYORYWRRRNIMDP-JYOAFUTRSA-N. The full InChI is InChI=1S/C11H11BrFNO/c1-3-11(14-7(2)15)9-5-4-8(12)6-10(9)13/h3-6H,1-2H3,(H,14,15)/b11-3-.
What are the key properties of N-[(Z)-1-(4-bromo-2-fluorophenyl)prop-1-enyl]acetamide?
N-[(Z)-1-(4-bromo-2-fluorophenyl)prop-1-enyl]acetamide has a molecular weight of 272.12 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-bromo-2-fluorophenyl)prop-1-enyl]acetamide is sourced from PubChem (CID 163537891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).