N-[2-chloro-5-(trifluoromethyl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide

C19H15ClF3NO2 — CID 2198415

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)c2cc1C
InChIInChI=1S/C19H15ClF3NO2/c1-9-6-13-11(3)17(26-16(13)7-10(9)2)18(25)24-15-8-12(19(21,22)23)4-5-14(15)20/h4-8H,1-3H3,(H,24,25)
InChIKeyJSRHIIRFPLQEGK-UHFFFAOYSA-N
MW381.78 g/mol
LogP6.28
Rot. Bonds2

About N-[2-chloro-5-(trifluoromethyl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 2198415) has the molecular formula C19H15ClF3NO2 and a molecular weight of 381.78 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
PubChem CID2198415
Molecular FormulaC19H15ClF3NO2
Molecular Weight381.78 g/mol
Exact Mass381.07
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)c2cc1C
InChIInChI=1S/C19H15ClF3NO2/c1-9-6-13-11(3)17(26-16(13)7-10(9)2)18(25)24-15-8-12(19(21,22)23)4-5-14(15)20/h4-8H,1-3H3,(H,24,25)
InChIKeyJSRHIIRFPLQEGK-UHFFFAOYSA-N
XLogP6.28
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.78
LogP ≤ 56.28
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]-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide (CID 2198415) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide is Cc1cc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)c2cc1C.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is JSRHIIRFPLQEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3NO2/c1-9-6-13-11(3)17(26-16(13)7-10(9)2)18(25)24-15-8-12(19(21,22)23)4-5-14(15)20/h4-8H,1-3H3,(H,24,25).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 381.78 g/mol, XLogP of 6.28, 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]-3,5,6-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2198415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).