N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

C17H13ClFNO2 — CID 9344840

IUPACN-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C17H13ClFNO2/c1-9-3-4-11(18)7-14(9)20-17(21)16-10(2)13-8-12(19)5-6-15(13)22-16/h3-8H,1-2H3,(H,20,21)
InChIKeyLUSDAXIOIPQGKO-UHFFFAOYSA-N
MW317.75 g/mol
LogP5.09
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9344840) has the molecular formula C17H13ClFNO2 and a molecular weight of 317.75 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9344840
Molecular FormulaC17H13ClFNO2
Molecular Weight317.75 g/mol
Exact Mass317.06
IUPAC NameN-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C17H13ClFNO2/c1-9-3-4-11(18)7-14(9)20-17(21)16-10(2)13-8-12(19)5-6-15(13)22-16/h3-8H,1-2H3,(H,20,21)
InChIKeyLUSDAXIOIPQGKO-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

N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344604
N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344827
N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344702
(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 78907025
N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 27843870
N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7770031
5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55699301
5-chloro-N-[2-(dimethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 43063974
N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55613510
(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723135
methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 974608
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55428292

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 9344840) is N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is LUSDAXIOIPQGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2/c1-9-3-4-11(18)7-14(9)20-17(21)16-10(2)13-8-12(19)5-6-15(13)22-16/h3-8H,1-2H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-(5-chloro-2-methylphenyl)-5-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-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9344840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).