N-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

C20H19ClFNO2 — CID 9344914

IUPACN-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1oc2c(F)cccc2c1C
InChIInChI=1S/C20H19ClFNO2/c1-4-12-9-10-15(21)13(5-2)17(12)23-20(24)18-11(3)14-7-6-8-16(22)19(14)25-18/h6-10H,4-5H2,1-3H3,(H,23,24)
InChIKeyWVRBMECGBLDVAA-UHFFFAOYSA-N
MW359.83 g/mol
LogP5.91
Rot. Bonds4

About N-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9344914) has the molecular formula C20H19ClFNO2 and a molecular weight of 359.83 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9344914
Molecular FormulaC20H19ClFNO2
Molecular Weight359.83 g/mol
Exact Mass359.11
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1oc2c(F)cccc2c1C
InChIInChI=1S/C20H19ClFNO2/c1-4-12-9-10-15(21)13(5-2)17(12)23-20(24)18-11(3)14-7-6-8-16(22)19(14)25-18/h6-10H,4-5H2,1-3H3,(H,23,24)
InChIKeyWVRBMECGBLDVAA-UHFFFAOYSA-N
XLogP5.91
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.83
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7920539
N-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 115692460
N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344639
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 46665379
N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 115612802
7-fluoro-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 24655002
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344598
N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344832
7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 43393388
7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 47100020

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 9344914) is N-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is CCc1ccc(Cl)c(CC)c1NC(=O)c1oc2c(F)cccc2c1C.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is WVRBMECGBLDVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFNO2/c1-4-12-9-10-15(21)13(5-2)17(12)23-20(24)18-11(3)14-7-6-8-16(22)19(14)25-18/h6-10H,4-5H2,1-3H3,(H,23,24).
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 359.83 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9344914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).