N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

C17H13ClFNO2 — CID 9344639

IUPACN-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3c(F)cccc3c2C)c(Cl)c1
InChIInChI=1S/C17H13ClFNO2/c1-9-6-7-14(12(18)8-9)20-17(21)15-10(2)11-4-3-5-13(19)16(11)22-15/h3-8H,1-2H3,(H,20,21)
InChIKeyDTWNYMCYYNLIMX-UHFFFAOYSA-N
MW317.75 g/mol
LogP5.09
Rot. Bonds2

About N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9344639) has the molecular formula C17H13ClFNO2 and a molecular weight of 317.75 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9344639
Molecular FormulaC17H13ClFNO2
Molecular Weight317.75 g/mol
Exact Mass317.06
IUPAC NameN-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3c(F)cccc3c2C)c(Cl)c1
InChIInChI=1S/C17H13ClFNO2/c1-9-6-7-14(12(18)8-9)20-17(21)15-10(2)11-4-3-5-13(19)16(11)22-15/h3-8H,1-2H3,(H,20,21)
InChIKeyDTWNYMCYYNLIMX-UHFFFAOYSA-N
XLogP5.09
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.75
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 46665379
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16546165
7-fluoro-3-methyl-N-(2-propan-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 9344647
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
N-(2-chloro-4-methylphenyl)-2,3-difluorobenzamide
CID 62650999
N-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344914
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 30969347
N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344598
7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 17423477
N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344832
2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide
CID 115678082

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 9344639) is N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is Cc1ccc(NC(=O)c2oc3c(F)cccc3c2C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is DTWNYMCYYNLIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2/c1-9-6-7-14(12(18)8-9)20-17(21)15-10(2)11-4-3-5-13(19)16(11)22-15/h3-8H,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 317.75 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9344639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).