2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide

C14H14BrNO2 — CID 106853847

IUPAC2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide
SMILESCCc1ccc(N(C)C(=O)c2ccoc2Br)cc1
InChIInChI=1S/C14H14BrNO2/c1-3-10-4-6-11(7-5-10)16(2)14(17)12-8-9-18-13(12)15/h4-9H,3H2,1-2H3
InChIKeyZUZLXBRNNVGLRN-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.88
Rot. Bonds3

About 2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide

2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide (PubChem CID 106853847) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide
PubChem CID106853847
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide
SMILESCCc1ccc(N(C)C(=O)c2ccoc2Br)cc1
InChIInChI=1S/C14H14BrNO2/c1-3-10-4-6-11(7-5-10)16(2)14(17)12-8-9-18-13(12)15/h4-9H,3H2,1-2H3
InChIKeyZUZLXBRNNVGLRN-UHFFFAOYSA-N
XLogP3.88
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide
CID 107962236
methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate
CID 106853790
3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide
CID 62003107
2-bromo-N-cyano-N-methylfuran-3-carboxamide
CID 130615092
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide
CID 106852111
(2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone
CID 106851399
2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide
CID 106441118
2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylfuran-3-carboxamide
CID 106854337
2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide
CID 106852639
5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide
CID 62001590
2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide
CID 114328563

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide?
The IUPAC name of 2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide (CID 106853847) is 2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide?
The canonical SMILES for 2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide is CCc1ccc(N(C)C(=O)c2ccoc2Br)cc1.
What is the InChIKey of 2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide?
The InChIKey is ZUZLXBRNNVGLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-3-10-4-6-11(7-5-10)16(2)14(17)12-8-9-18-13(12)15/h4-9H,3H2,1-2H3.
What are the key properties of 2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide?
2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide is sourced from PubChem (CID 106853847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).