N-[(E)-1-(4-bromophenyl)prop-1-enyl]acetamide

C11H12BrNO — CID 71506969

IUPACN-[(E)-1-(4-bromophenyl)prop-1-enyl]acetamide
SMILESC/C=C(/NC(C)=O)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO/c1-3-11(13-8(2)14)9-4-6-10(12)7-5-9/h3-7H,1-2H3,(H,13,14)/b11-3+
InChIKeyWAWJAJYVPRAYBI-QDEBKDIKSA-N
MW254.13 g/mol
LogP2.95
Rot. Bonds2

About N-[(E)-1-(4-bromophenyl)prop-1-enyl]acetamide

N-[(E)-1-(4-bromophenyl)prop-1-enyl]acetamide (PubChem CID 71506969) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is N-[(E)-1-(4-bromophenyl)prop-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-bromophenyl)prop-1-enyl]acetamide
PubChem CID71506969
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC NameN-[(E)-1-(4-bromophenyl)prop-1-enyl]acetamide
SMILESC/C=C(/NC(C)=O)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO/c1-3-11(13-8(2)14)9-4-6-10(12)7-5-9/h3-7H,1-2H3,(H,13,14)/b11-3+
InChIKeyWAWJAJYVPRAYBI-QDEBKDIKSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-bromophenyl)prop-1-enyl]acetamide?
The IUPAC name of N-[(E)-1-(4-bromophenyl)prop-1-enyl]acetamide (CID 71506969) is N-[(E)-1-(4-bromophenyl)prop-1-enyl]acetamide.
What is the SMILES notation for N-[(E)-1-(4-bromophenyl)prop-1-enyl]acetamide?
The canonical SMILES for N-[(E)-1-(4-bromophenyl)prop-1-enyl]acetamide is C/C=C(/NC(C)=O)c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-1-(4-bromophenyl)prop-1-enyl]acetamide?
The InChIKey is WAWJAJYVPRAYBI-QDEBKDIKSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-3-11(13-8(2)14)9-4-6-10(12)7-5-9/h3-7H,1-2H3,(H,13,14)/b11-3+.
What are the key properties of N-[(E)-1-(4-bromophenyl)prop-1-enyl]acetamide?
N-[(E)-1-(4-bromophenyl)prop-1-enyl]acetamide has a molecular weight of 254.13 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-bromophenyl)prop-1-enyl]acetamide is sourced from PubChem (CID 71506969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).