3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide

C29H21FN2O3 — CID 16814504

IUPAC3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1oc2ccccc2c1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H21FN2O3/c30-22-16-8-9-17-23(22)31-29(34)27-26(21-15-7-10-18-24(21)35-27)32-28(33)25(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-18,25H,(H,31,34)(H,32,33)
InChIKeyNGZIXXJZKJDJDK-UHFFFAOYSA-N
MW464.50 g/mol
LogP6.59
Rot. Bonds6

About 3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide

3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 16814504) has the molecular formula C29H21FN2O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is 3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
PubChem CID16814504
Molecular FormulaC29H21FN2O3
Molecular Weight464.50 g/mol
Exact Mass464.15
IUPAC Name3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1oc2ccccc2c1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H21FN2O3/c30-22-16-8-9-17-23(22)31-29(34)27-26(21-15-7-10-18-24(21)35-27)32-28(33)25(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-18,25H,(H,31,34)(H,32,33)
InChIKeyNGZIXXJZKJDJDK-UHFFFAOYSA-N
XLogP6.59
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.50
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7116978
3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7159781
ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate
CID 4642144
3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 20875244
3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 7159647
N-(3,4-difluorophenyl)-3-(2-ethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7501899
3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7204931
N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7152285
3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 7159658
3-(cyclohexylsulfanylmethyl)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 3962971
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 7292203
3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 16814293

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide (CID 16814504) is 3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide is O=C(Nc1ccccc1F)c1oc2ccccc2c1NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is NGZIXXJZKJDJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21FN2O3/c30-22-16-8-9-17-23(22)31-29(34)27-26(21-15-7-10-18-24(21)35-27)32-28(33)25(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-18,25H,(H,31,34)(H,32,33).
What are the key properties of 3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide?
3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 6.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16814504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).