2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide

C21H21FN2O3 — CID 39214150

IUPAC2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide
SMILESCc1cc2occ(CC(=O)Nc3ccc(F)c(C(N)=O)c3)c2cc1C(C)C
InChIInChI=1S/C21H21FN2O3/c1-11(2)15-9-16-13(10-27-19(16)6-12(15)3)7-20(25)24-14-4-5-18(22)17(8-14)21(23)26/h4-6,8-11H,7H2,1-3H3,(H2,23,26)(H,24,25)
InChIKeyXGTCUZBZQAKXHR-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.28
Rot. Bonds5

About 2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide

2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide (PubChem CID 39214150) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide
PubChem CID39214150
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide
SMILESCc1cc2occ(CC(=O)Nc3ccc(F)c(C(N)=O)c3)c2cc1C(C)C
InChIInChI=1S/C21H21FN2O3/c1-11(2)15-9-16-13(10-27-19(16)6-12(15)3)7-20(25)24-14-4-5-18(22)17(8-14)21(23)26/h4-6,8-11H,7H2,1-3H3,(H2,23,26)(H,24,25)
InChIKeyXGTCUZBZQAKXHR-UHFFFAOYSA-N
XLogP4.28
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3952241
N-[4-(carbamoylamino)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 33150978
N-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 39969563
N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 31303355
N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3367131
N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 2513771
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 32942559
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3520986
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18268666
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 43007944

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide?
The IUPAC name of 2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide (CID 39214150) is 2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide is Cc1cc2occ(CC(=O)Nc3ccc(F)c(C(N)=O)c3)c2cc1C(C)C.
What is the InChIKey of 2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide?
The InChIKey is XGTCUZBZQAKXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-11(2)15-9-16-13(10-27-19(16)6-12(15)3)7-20(25)24-14-4-5-18(22)17(8-14)21(23)26/h4-6,8-11H,7H2,1-3H3,(H2,23,26)(H,24,25).
What are the key properties of 2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide?
2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide has a molecular weight of 368.41 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 39214150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).