N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide

C11H11BrClNO — CID 169466504

IUPACN-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(Cl)cc1Br
InChIInChI=1S/C11H11BrClNO/c1-8(15)14-6-2-3-9-4-5-10(13)7-11(9)12/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyKPFMHUJPKLWWFI-UHFFFAOYSA-N
MW288.57 g/mol
LogP3.25
Rot. Bonds3

About N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide

N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide (PubChem CID 169466504) has the molecular formula C11H11BrClNO and a molecular weight of 288.57 g/mol. Its IUPAC name is N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide
PubChem CID169466504
Molecular FormulaC11H11BrClNO
Molecular Weight288.57 g/mol
Exact Mass286.97
IUPAC NameN-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(Cl)cc1Br
InChIInChI=1S/C11H11BrClNO/c1-8(15)14-6-2-3-9-4-5-10(13)7-11(9)12/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyKPFMHUJPKLWWFI-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine
CID 169474594
N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465018
N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide
CID 169466530
N-[4-(2-bromo-5-chlorophenyl)but-3-enyl]acetamide
CID 170489725
N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide
CID 169466523
N-[3-(3-fluoro-2-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465029
N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide
CID 169464897
N-[3-(2,3-dichlorophenyl)prop-2-enyl]acetamide
CID 169464992
N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide
CID 169465750
N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide
CID 169465270
N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide
CID 169466489

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide (CID 169466504) is N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc(Cl)cc1Br.
What is the InChIKey of N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide?
The InChIKey is KPFMHUJPKLWWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO/c1-8(15)14-6-2-3-9-4-5-10(13)7-11(9)12/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide?
N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide has a molecular weight of 288.57 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).