5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide

C19H22BrNO3 — CID 55772175

IUPAC5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)C1CCCCC1
InChIInChI=1S/C19H22BrNO3/c1-21(15-5-3-2-4-6-15)19(22)18-12-11-17(24-18)13-23-16-9-7-14(20)8-10-16/h7-12,15H,2-6,13H2,1H3
InChIKeyCPRDGNRRVDKPAG-UHFFFAOYSA-N
MW392.29 g/mol
LogP5.03
Rot. Bonds5

About 5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide

5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide (PubChem CID 55772175) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide
PubChem CID55772175
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)C1CCCCC1
InChIInChI=1S/C19H22BrNO3/c1-21(15-5-3-2-4-6-15)19(22)18-12-11-17(24-18)13-23-16-9-7-14(20)8-10-16/h7-12,15H,2-6,13H2,1H3
InChIKeyCPRDGNRRVDKPAG-UHFFFAOYSA-N
XLogP5.03
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.29
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide
CID 717036
5-[(4-fluorophenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 119441155
5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide
CID 102557908
5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide
CID 55775045
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
5-[(4-fluorophenoxy)methyl]-N-methyl-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119549878
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119583540
5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 47047134
(4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
CID 119375154
1-[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356795
5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide
CID 95748484

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide (CID 55772175) is 5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide is CN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)C1CCCCC1.
What is the InChIKey of 5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide?
The InChIKey is CPRDGNRRVDKPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-21(15-5-3-2-4-6-15)19(22)18-12-11-17(24-18)13-23-16-9-7-14(20)8-10-16/h7-12,15H,2-6,13H2,1H3.
What are the key properties of 5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide?
5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide has a molecular weight of 392.29 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide is sourced from PubChem (CID 55772175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).