N-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide

C14H14BrNO2 — CID 60794252

IUPACN-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C14H14BrNO2/c1-8-4-5-18-13(8)14(17)16-12-9(2)6-11(15)7-10(12)3/h4-7H,1-3H3,(H,16,17)
InChIKeyWVCKQGDMYQZCMK-UHFFFAOYSA-N
MW308.18 g/mol
LogP4.22
Rot. Bonds2

About N-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide

N-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide (PubChem CID 60794252) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide
PubChem CID60794252
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C14H14BrNO2/c1-8-4-5-18-13(8)14(17)16-12-9(2)6-11(15)7-10(12)3/h4-7H,1-3H3,(H,16,17)
InChIKeyWVCKQGDMYQZCMK-UHFFFAOYSA-N
XLogP4.22
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide
CID 103581989
N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide
CID 116813642
3-methyl-N-(3-methylphenyl)furan-2-carboxamide
CID 38770464
N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 100801901
3-[(4-bromo-2,6-dimethylanilino)methyl]furan-2-carboxylic acid
CID 103235408
1-(4-bromo-2,6-dimethylphenyl)-3-[(2-methylfuran-3-yl)methyl]urea
CID 71937795
N-(3-iodophenyl)-3-methylfuran-2-carboxamide
CID 27445102
N-(4-aminophenyl)-5-bromofuran-2-carboxamide;N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 159467877
N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide
CID 79766212
4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide
CID 107031288
N-(3-hydroxy-2-methylphenyl)-3-methylfuran-2-carboxamide
CID 64793072
N-(4-ethylphenyl)-3-methylfuran-2-carboxamide
CID 18106134

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide (CID 60794252) is N-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1c(C)cc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide?
The InChIKey is WVCKQGDMYQZCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-8-4-5-18-13(8)14(17)16-12-9(2)6-11(15)7-10(12)3/h4-7H,1-3H3,(H,16,17).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide?
N-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 60794252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).