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

C23H17FN2O4 — CID 20875257

IUPACN-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESCOc1cccc(C(=O)Nc2c(C(=O)Nc3cccc(F)c3)oc3ccccc23)c1
InChIInChI=1S/C23H17FN2O4/c1-29-17-9-4-6-14(12-17)22(27)26-20-18-10-2-3-11-19(18)30-21(20)23(28)25-16-8-5-7-15(24)13-16/h2-13H,1H3,(H,25,28)(H,26,27)
InChIKeyXOBYDGHJMCQNIY-UHFFFAOYSA-N
MW404.40 g/mol
LogP5.09
Rot. Bonds5

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

N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 20875257) has the molecular formula C23H17FN2O4 and a molecular weight of 404.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide
PubChem CID20875257
Molecular FormulaC23H17FN2O4
Molecular Weight404.40 g/mol
Exact Mass404.12
IUPAC NameN-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESCOc1cccc(C(=O)Nc2c(C(=O)Nc3cccc(F)c3)oc3ccccc23)c1
InChIInChI=1S/C23H17FN2O4/c1-29-17-9-4-6-14(12-17)22(27)26-20-18-10-2-3-11-19(18)30-21(20)23(28)25-16-8-5-7-15(24)13-16/h2-13H,1H3,(H,25,28)(H,26,27)
InChIKeyXOBYDGHJMCQNIY-UHFFFAOYSA-N
XLogP5.09
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.40
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(3-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829898
N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875272
N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 6622692
3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875154
N-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide
CID 16814409
3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 20875259
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide
CID 20926272
3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926069
ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 4569687
N-(3-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide
CID 93153212
3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7204931
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide (CID 20875257) is N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide is COc1cccc(C(=O)Nc2c(C(=O)Nc3cccc(F)c3)oc3ccccc23)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is XOBYDGHJMCQNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O4/c1-29-17-9-4-6-14(12-17)22(27)26-20-18-10-2-3-11-19(18)30-21(20)23(28)25-16-8-5-7-15(24)13-16/h2-13H,1H3,(H,25,28)(H,26,27).
What are the key properties of N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide?
N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 404.40 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20875257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).