3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide

C24H19FN2O3 — CID 60569246

IUPAC3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide
SMILESCC(=O)Nc1cc(C(=O)NC(c2ccccc2)c2cc3ccccc3o2)ccc1F
InChIInChI=1S/C24H19FN2O3/c1-15(28)26-20-13-18(11-12-19(20)25)24(29)27-23(16-7-3-2-4-8-16)22-14-17-9-5-6-10-21(17)30-22/h2-14,23H,1H3,(H,26,28)(H,27,29)
InChIKeySDUIWOXOUYOQJZ-UHFFFAOYSA-N
MW402.43 g/mol
LogP5.05
Rot. Bonds5

About 3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide

3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide (PubChem CID 60569246) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide
PubChem CID60569246
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide
SMILESCC(=O)Nc1cc(C(=O)NC(c2ccccc2)c2cc3ccccc3o2)ccc1F
InChIInChI=1S/C24H19FN2O3/c1-15(28)26-20-13-18(11-12-19(20)25)24(29)27-23(16-7-3-2-4-8-16)22-14-17-9-5-6-10-21(17)30-22/h2-14,23H,1H3,(H,26,28)(H,27,29)
InChIKeySDUIWOXOUYOQJZ-UHFFFAOYSA-N
XLogP5.05
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.43
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide
CID 42925184
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(2-fluorophenyl)acetamide
CID 51727752
3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid
CID 75414482
2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 51932530
3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 110903075
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
N-[1-benzofuran-2-yl(phenyl)methyl]-2,4-dimethoxybenzamide
CID 43035801
N-[(2-oxochromen-3-yl)-phenylmethyl]benzamide
CID 13285193
4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide
CID 120559534
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]cyclobutanecarboxamide
CID 40789963
3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide
CID 86998008
3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide
CID 55687173

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide?
The IUPAC name of 3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide (CID 60569246) is 3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide is CC(=O)Nc1cc(C(=O)NC(c2ccccc2)c2cc3ccccc3o2)ccc1F.
What is the InChIKey of 3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide?
The InChIKey is SDUIWOXOUYOQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-15(28)26-20-13-18(11-12-19(20)25)24(29)27-23(16-7-3-2-4-8-16)22-14-17-9-5-6-10-21(17)30-22/h2-14,23H,1H3,(H,26,28)(H,27,29).
What are the key properties of 3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide?
3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide has a molecular weight of 402.43 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 60569246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).