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

C17H17F4NO2 — CID 4851981

IUPACN-cycloheptyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)NC1CCCCCC1
InChIInChI=1S/C17H17F4NO2/c1-8-10(17(23)22-9-6-4-2-3-5-7-9)11-12(18)13(19)14(20)15(21)16(11)24-8/h9H,2-7H2,1H3,(H,22,23)
InChIKeyYKFYBDFYBHOQIP-UHFFFAOYSA-N
MW343.32 g/mol
LogP4.75
Rot. Bonds2

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

N-cycloheptyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 4851981) has the molecular formula C17H17F4NO2 and a molecular weight of 343.32 g/mol. Its IUPAC name is N-cycloheptyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide
PubChem CID4851981
Molecular FormulaC17H17F4NO2
Molecular Weight343.32 g/mol
Exact Mass343.12
IUPAC NameN-cycloheptyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)NC1CCCCCC1
InChIInChI=1S/C17H17F4NO2/c1-8-10(17(23)22-9-6-4-2-3-5-7-9)11-12(18)13(19)14(20)15(21)16(11)24-8/h9H,2-7H2,1H3,(H,22,23)
InChIKeyYKFYBDFYBHOQIP-UHFFFAOYSA-N
XLogP4.75
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 54.75
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-cycloheptyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-cycloheptyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide (CID 4851981) is N-cycloheptyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-cycloheptyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is YKFYBDFYBHOQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4NO2/c1-8-10(17(23)22-9-6-4-2-3-5-7-9)11-12(18)13(19)14(20)15(21)16(11)24-8/h9H,2-7H2,1H3,(H,22,23).
What are the key properties of N-cycloheptyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide?
N-cycloheptyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 343.32 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 4851981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).