N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide

C25H20ClFN2O5 — CID 16817718

IUPACN-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CC(=O)Nc2c(C(=O)Nc3ccc(F)c(Cl)c3)oc3ccccc23)cc1OC
InChIInChI=1S/C25H20ClFN2O5/c1-32-20-10-7-14(11-21(20)33-2)12-22(30)29-23-16-5-3-4-6-19(16)34-24(23)25(31)28-15-8-9-18(27)17(26)13-15/h3-11,13H,12H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyIIHQZVZOMFAYQM-UHFFFAOYSA-N
MW482.90 g/mol
LogP5.68
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide

N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 16817718) has the molecular formula C25H20ClFN2O5 and a molecular weight of 482.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID16817718
Molecular FormulaC25H20ClFN2O5
Molecular Weight482.90 g/mol
Exact Mass482.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CC(=O)Nc2c(C(=O)Nc3ccc(F)c(Cl)c3)oc3ccccc23)cc1OC
InChIInChI=1S/C25H20ClFN2O5/c1-32-20-10-7-14(11-21(20)33-2)12-22(30)29-23-16-5-3-4-6-19(16)34-24(23)25(31)28-15-8-9-18(27)17(26)13-15/h3-11,13H,12H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyIIHQZVZOMFAYQM-UHFFFAOYSA-N
XLogP5.68
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.90
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817375
N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 7200193
ethyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxylate
CID 7117067
3-[(5-bromofuran-2-carbonyl)amino]-N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 16818188
3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 1267238
N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide
CID 7200191
N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16818095
3-(3-chloropropanoylamino)-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7501910
N-(4-chlorophenyl)-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-1-benzofuran-2-carboxamide
CID 19109374
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 139582504
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
N-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)-1-benzofuran-2-carboxamide
CID 16818189

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide (CID 16817718) is N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide is COc1ccc(CC(=O)Nc2c(C(=O)Nc3ccc(F)c(Cl)c3)oc3ccccc23)cc1OC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is IIHQZVZOMFAYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN2O5/c1-32-20-10-7-14(11-21(20)33-2)12-22(30)29-23-16-5-3-4-6-19(16)34-24(23)25(31)28-15-8-9-18(27)17(26)13-15/h3-11,13H,12H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 482.90 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16817718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).