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

C12H14BrNO — CID 169466489

IUPACN-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(Br)c(C)c1
InChIInChI=1S/C12H14BrNO/c1-9-8-11(5-6-12(9)13)4-3-7-14-10(2)15/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKeyYYPOCAKDXMIRQK-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.91
Rot. Bonds3

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

N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide (PubChem CID 169466489) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide
PubChem CID169466489
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC NameN-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(Br)c(C)c1
InChIInChI=1S/C12H14BrNO/c1-9-8-11(5-6-12(9)13)4-3-7-14-10(2)15/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKeyYYPOCAKDXMIRQK-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
(E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol
CID 83537442
N-[3-[3-amino-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169466078
N-[3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465955
3-(4-bromo-3-methylphenyl)prop-2-enoic acid
CID 69114236
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide
CID 169466482
N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide
CID 169465538
N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide
CID 169464977
methyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169465710
N-[3-(5-methylthiophen-3-yl)prop-2-enyl]acetamide
CID 169464817
ethyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169466574

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide (CID 169466489) is N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc(Br)c(C)c1.
What is the InChIKey of N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide?
The InChIKey is YYPOCAKDXMIRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-9-8-11(5-6-12(9)13)4-3-7-14-10(2)15/h3-6,8H,7H2,1-2H3,(H,14,15).
What are the key properties of N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide?
N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide has a molecular weight of 268.15 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).