5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide

C20H24BrNO3 — CID 55775045

IUPAC5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide
SMILESCC(C)C(C)N(C(=O)c1ccc(COc2ccc(Br)cc2)o1)C1CC1
InChIInChI=1S/C20H24BrNO3/c1-13(2)14(3)22(16-6-7-16)20(23)19-11-10-18(25-19)12-24-17-8-4-15(21)5-9-17/h4-5,8-11,13-14,16H,6-7,12H2,1-3H3
InChIKeyDDPREMIFANWKTF-UHFFFAOYSA-N
MW406.32 g/mol
LogP5.27
Rot. Bonds7

About 5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide

5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide (PubChem CID 55775045) has the molecular formula C20H24BrNO3 and a molecular weight of 406.32 g/mol. Its IUPAC name is 5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide
PubChem CID55775045
Molecular FormulaC20H24BrNO3
Molecular Weight406.32 g/mol
Exact Mass405.09
IUPAC Name5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide
SMILESCC(C)C(C)N(C(=O)c1ccc(COc2ccc(Br)cc2)o1)C1CC1
InChIInChI=1S/C20H24BrNO3/c1-13(2)14(3)22(16-6-7-16)20(23)19-11-10-18(25-19)12-24-17-8-4-15(21)5-9-17/h4-5,8-11,13-14,16H,6-7,12H2,1-3H3
InChIKeyDDPREMIFANWKTF-UHFFFAOYSA-N
XLogP5.27
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.32
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide with MolForge

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Related Compounds

5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide
CID 55772175
N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119583540
5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide
CID 102557908
(2R)-2-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119369410
5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 47047134
N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119628540
(4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
CID 119375154
N-[1-(1-adamantyl)propyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19413535
5-[(4-bromophenoxy)methyl]-N-[[4-(2-methylpropanoylamino)phenyl]methyl]furan-2-carboxamide
CID 55776259
5-[(4-fluorophenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 119441155
1-[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356795
[(3R)-3-aminopyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone;hydrochloride
CID 119411658

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide (CID 55775045) is 5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide is CC(C)C(C)N(C(=O)c1ccc(COc2ccc(Br)cc2)o1)C1CC1.
What is the InChIKey of 5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide?
The InChIKey is DDPREMIFANWKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO3/c1-13(2)14(3)22(16-6-7-16)20(23)19-11-10-18(25-19)12-24-17-8-4-15(21)5-9-17/h4-5,8-11,13-14,16H,6-7,12H2,1-3H3.
What are the key properties of 5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide?
5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide has a molecular weight of 406.32 g/mol, XLogP of 5.27, 7 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-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 55775045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).