2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide

C14H14BrNO2 — CID 110774439

IUPAC2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc(Br)cc1CC(=O)NCc1ccco1
InChIInChI=1S/C14H14BrNO2/c1-10-4-5-12(15)7-11(10)8-14(17)16-9-13-3-2-6-18-13/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyIXKMCNHSXKGREO-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.21
Rot. Bonds4

About 2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide

2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 110774439) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID110774439
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc(Br)cc1CC(=O)NCc1ccco1
InChIInChI=1S/C14H14BrNO2/c1-10-4-5-12(15)7-11(10)8-14(17)16-9-13-3-2-6-18-13/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyIXKMCNHSXKGREO-UHFFFAOYSA-N
XLogP3.21
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(furan-2-ylmethyl)benzamide
CID 114369742
2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 18118941
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767919
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide
CID 110792461
5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 65309421
2-(furan-2-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 110690604
5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 896756
N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 676282
N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162022
2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide
CID 51204584

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide (CID 110774439) is 2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide is Cc1ccc(Br)cc1CC(=O)NCc1ccco1.
What is the InChIKey of 2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is IXKMCNHSXKGREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10-4-5-12(15)7-11(10)8-14(17)16-9-13-3-2-6-18-13/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of 2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide?
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 308.18 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 110774439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).