4-bromo-N-(2,2-dimethylpropyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide

C14H19BrF3NO2 — CID 56530763

IUPAC4-bromo-N-(2,2-dimethylpropyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(CC(C)(C)C)CC(F)(F)F)c1Br
InChIInChI=1S/C14H19BrF3NO2/c1-8-10(11(15)9(2)21-8)12(20)19(6-13(3,4)5)7-14(16,17)18/h6-7H2,1-5H3
InChIKeyYZILCFPCGZQXRV-UHFFFAOYSA-N
MW370.21 g/mol
LogP4.71
Rot. Bonds3

About 4-bromo-N-(2,2-dimethylpropyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide

4-bromo-N-(2,2-dimethylpropyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (PubChem CID 56530763) has the molecular formula C14H19BrF3NO2 and a molecular weight of 370.21 g/mol. Its IUPAC name is 4-bromo-N-(2,2-dimethylpropyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,2-dimethylpropyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
PubChem CID56530763
Molecular FormulaC14H19BrF3NO2
Molecular Weight370.21 g/mol
Exact Mass369.06
IUPAC Name4-bromo-N-(2,2-dimethylpropyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(CC(C)(C)C)CC(F)(F)F)c1Br
InChIInChI=1S/C14H19BrF3NO2/c1-8-10(11(15)9(2)21-8)12(20)19(6-13(3,4)5)7-14(16,17)18/h6-7H2,1-5H3
InChIKeyYZILCFPCGZQXRV-UHFFFAOYSA-N
XLogP4.71
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2-dimethylpropyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The IUPAC name of 4-bromo-N-(2,2-dimethylpropyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (CID 56530763) is 4-bromo-N-(2,2-dimethylpropyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,2-dimethylpropyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The canonical SMILES for 4-bromo-N-(2,2-dimethylpropyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is Cc1oc(C)c(C(=O)N(CC(C)(C)C)CC(F)(F)F)c1Br.
What is the InChIKey of 4-bromo-N-(2,2-dimethylpropyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The InChIKey is YZILCFPCGZQXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF3NO2/c1-8-10(11(15)9(2)21-8)12(20)19(6-13(3,4)5)7-14(16,17)18/h6-7H2,1-5H3.
What are the key properties of 4-bromo-N-(2,2-dimethylpropyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
4-bromo-N-(2,2-dimethylpropyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide has a molecular weight of 370.21 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2-dimethylpropyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is sourced from PubChem (CID 56530763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).