4-bromo-N-cyclopropyl-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide

C15H22BrNO2 — CID 55774448

IUPAC4-bromo-N-cyclopropyl-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(CCC(C)C)C2CC2)c1Br
InChIInChI=1S/C15H22BrNO2/c1-9(2)7-8-17(12-5-6-12)15(18)13-10(3)19-11(4)14(13)16/h9,12H,5-8H2,1-4H3
InChIKeyCWVIJGPRGJFTFY-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.31
Rot. Bonds5

About 4-bromo-N-cyclopropyl-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide

4-bromo-N-cyclopropyl-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide (PubChem CID 55774448) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
PubChem CID55774448
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name4-bromo-N-cyclopropyl-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(CCC(C)C)C2CC2)c1Br
InChIInChI=1S/C15H22BrNO2/c1-9(2)7-8-17(12-5-6-12)15(18)13-10(3)19-11(4)14(13)16/h9,12H,5-8H2,1-4H3
InChIKeyCWVIJGPRGJFTFY-UHFFFAOYSA-N
XLogP4.31
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-cyclopropyl-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60733156
N-cyclopropyl-2,6-dihydroxy-N-(3-methylbutyl)benzamide
CID 107689256
2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 63679316
4-(bromomethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 102851269
N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 60733247
N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60732998
5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid
CID 115281184
N-cyclopropyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 113224066
N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide
CID 63999032
N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide
CID 78974536
5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide
CID 62815083
3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369445

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide?
The IUPAC name of 4-bromo-N-cyclopropyl-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide (CID 55774448) is 4-bromo-N-cyclopropyl-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclopropyl-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide?
The canonical SMILES for 4-bromo-N-cyclopropyl-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide is Cc1oc(C)c(C(=O)N(CCC(C)C)C2CC2)c1Br.
What is the InChIKey of 4-bromo-N-cyclopropyl-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide?
The InChIKey is CWVIJGPRGJFTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-9(2)7-8-17(12-5-6-12)15(18)13-10(3)19-11(4)14(13)16/h9,12H,5-8H2,1-4H3.
What are the key properties of 4-bromo-N-cyclopropyl-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide?
4-bromo-N-cyclopropyl-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide has a molecular weight of 328.25 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide is sourced from PubChem (CID 55774448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).