N-[1-(4-bromophenyl)ethenyl]acetamide

C10H10BrNO — CID 11356870

IUPACN-[1-(4-bromophenyl)ethenyl]acetamide
SMILESC=C(NC(C)=O)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO/c1-7(12-8(2)13)9-3-5-10(11)6-4-9/h3-6H,1H2,2H3,(H,12,13)
InChIKeyOQFXOFQCLBQHKK-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.56
Rot. Bonds2

About N-[1-(4-bromophenyl)ethenyl]acetamide

N-[1-(4-bromophenyl)ethenyl]acetamide (PubChem CID 11356870) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethenyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethenyl]acetamide
PubChem CID11356870
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC NameN-[1-(4-bromophenyl)ethenyl]acetamide
SMILESC=C(NC(C)=O)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO/c1-7(12-8(2)13)9-3-5-10(11)6-4-9/h3-6H,1H2,2H3,(H,12,13)
InChIKeyOQFXOFQCLBQHKK-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethenyl]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethenyl]acetamide (CID 11356870) is N-[1-(4-bromophenyl)ethenyl]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethenyl]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethenyl]acetamide is C=C(NC(C)=O)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethenyl]acetamide?
The InChIKey is OQFXOFQCLBQHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-7(12-8(2)13)9-3-5-10(11)6-4-9/h3-6H,1H2,2H3,(H,12,13).
What are the key properties of N-[1-(4-bromophenyl)ethenyl]acetamide?
N-[1-(4-bromophenyl)ethenyl]acetamide has a molecular weight of 240.10 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethenyl]acetamide is sourced from PubChem (CID 11356870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).