N-cyclopentyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide

C15H13F4NO2 — CID 17459855

IUPACN-cyclopentyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)NC1CCCC1
InChIInChI=1S/C15H13F4NO2/c1-6-8(15(21)20-7-4-2-3-5-7)9-10(16)11(17)12(18)13(19)14(9)22-6/h7H,2-5H2,1H3,(H,20,21)
InChIKeyDBBHEBBVARXDNI-UHFFFAOYSA-N
MW315.27 g/mol
LogP3.97
Rot. Bonds2

About N-cyclopentyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide

N-cyclopentyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 17459855) has the molecular formula C15H13F4NO2 and a molecular weight of 315.27 g/mol. Its IUPAC name is N-cyclopentyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide
PubChem CID17459855
Molecular FormulaC15H13F4NO2
Molecular Weight315.27 g/mol
Exact Mass315.09
IUPAC NameN-cyclopentyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)NC1CCCC1
InChIInChI=1S/C15H13F4NO2/c1-6-8(15(21)20-7-4-2-3-5-7)9-10(16)11(17)12(18)13(19)14(9)22-6/h7H,2-5H2,1H3,(H,20,21)
InChIKeyDBBHEBBVARXDNI-UHFFFAOYSA-N
XLogP3.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-cyclopentyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide (CID 17459855) is N-cyclopentyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-cyclopentyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is DBBHEBBVARXDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO2/c1-6-8(15(21)20-7-4-2-3-5-7)9-10(16)11(17)12(18)13(19)14(9)22-6/h7H,2-5H2,1H3,(H,20,21).
What are the key properties of N-cyclopentyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide?
N-cyclopentyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 315.27 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 17459855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).