N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C18H13ClF3NO3 — CID 7930823

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(C)c2c1
InChIInChI=1S/C18H13ClF3NO3/c1-9-12-8-11(25-2)4-6-15(12)26-16(9)17(24)23-10-3-5-14(19)13(7-10)18(20,21)22/h3-8H,1-2H3,(H,23,24)
InChIKeyOKOQLXNAGWNXEO-UHFFFAOYSA-N
MW383.75 g/mol
LogP5.67
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 7930823) has the molecular formula C18H13ClF3NO3 and a molecular weight of 383.75 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID7930823
Molecular FormulaC18H13ClF3NO3
Molecular Weight383.75 g/mol
Exact Mass383.05
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(C)c2c1
InChIInChI=1S/C18H13ClF3NO3/c1-9-12-8-11(25-2)4-6-15(12)26-16(9)17(24)23-10-3-5-14(19)13(7-10)18(20,21)22/h3-8H,1-2H3,(H,23,24)
InChIKeyOKOQLXNAGWNXEO-UHFFFAOYSA-N
XLogP5.67
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.75
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679149
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
5-methoxy-3-methyl-N-[4-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8700218
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
N-[4-(2-hydroxyethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110922986
5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55699301
N-[3-(ethylcarbamoyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473266
5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide
CID 55711749
N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 9073189
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea
CID 97455774
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 2089825
N-(3-acetamido-2-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134019144

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 7930823) is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(C)c2c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is OKOQLXNAGWNXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3NO3/c1-9-12-8-11(25-2)4-6-15(12)26-16(9)17(24)23-10-3-5-14(19)13(7-10)18(20,21)22/h3-8H,1-2H3,(H,23,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 383.75 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7930823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).