N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

C20H20FNO2 — CID 9344832

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCC[C@H](C)c1ccccc1NC(=O)c1oc2c(F)cccc2c1C
InChIInChI=1S/C20H20FNO2/c1-4-12(2)14-8-5-6-11-17(14)22-20(23)18-13(3)15-9-7-10-16(21)19(15)24-18/h5-12H,4H2,1-3H3,(H,22,23)/t12-/m0/s1
InChIKeyNMUDMPMZFNYMGE-LBPRGKRZSA-N
MW325.38 g/mol
LogP5.65
Rot. Bonds4

About N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9344832) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9344832
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCC[C@H](C)c1ccccc1NC(=O)c1oc2c(F)cccc2c1C
InChIInChI=1S/C20H20FNO2/c1-4-12(2)14-8-5-6-11-17(14)22-20(23)18-13(3)15-9-7-10-16(21)19(15)24-18/h5-12H,4H2,1-3H3,(H,22,23)/t12-/m0/s1
InChIKeyNMUDMPMZFNYMGE-LBPRGKRZSA-N
XLogP5.65
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.38
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-3-methyl-N-(2-propan-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 9344647
N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 108805400
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-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 43393388
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344639
N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 80710438
N-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 115692460
N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344598
N-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344914
2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8532125

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 9344832) is N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is CC[C@H](C)c1ccccc1NC(=O)c1oc2c(F)cccc2c1C.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is NMUDMPMZFNYMGE-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-4-12(2)14-8-5-6-11-17(14)22-20(23)18-13(3)15-9-7-10-16(21)19(15)24-18/h5-12H,4H2,1-3H3,(H,22,23)/t12-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9344832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).