N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide

C17H11ClF3NO2 — CID 2446243

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2ccccc12
InChIInChI=1S/C17H11ClF3NO2/c1-9-11-4-2-3-5-14(11)24-15(9)16(23)22-13-8-10(17(19,20)21)6-7-12(13)18/h2-8H,1H3,(H,22,23)
InChIKeyIZZGZIDFDVBORW-UHFFFAOYSA-N
MW353.73 g/mol
LogP5.67
Rot. Bonds2

About N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2446243) has the molecular formula C17H11ClF3NO2 and a molecular weight of 353.73 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2446243
Molecular FormulaC17H11ClF3NO2
Molecular Weight353.73 g/mol
Exact Mass353.04
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2ccccc12
InChIInChI=1S/C17H11ClF3NO2/c1-9-11-4-2-3-5-14(11)24-15(9)16(23)22-13-8-10(17(19,20)21)6-7-12(13)18/h2-8H,1H3,(H,22,23)
InChIKeyIZZGZIDFDVBORW-UHFFFAOYSA-N
XLogP5.67
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.73
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 2446243) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2ccccc12.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is IZZGZIDFDVBORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NO2/c1-9-11-4-2-3-5-14(11)24-15(9)16(23)22-13-8-10(17(19,20)21)6-7-12(13)18/h2-8H,1H3,(H,22,23).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 353.73 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2446243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).