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

C25H21ClN2O5 — CID 16817375

IUPACN-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CC(=O)Nc2c(C(=O)Nc3cccc(Cl)c3)oc3ccccc23)cc1OC
InChIInChI=1S/C25H21ClN2O5/c1-31-20-11-10-15(12-21(20)32-2)13-22(29)28-23-18-8-3-4-9-19(18)33-24(23)25(30)27-17-7-5-6-16(26)14-17/h3-12,14H,13H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyQMUQYSAQYDJONC-UHFFFAOYSA-N
MW464.91 g/mol
LogP5.54
Rot. Bonds7

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

N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 16817375) has the molecular formula C25H21ClN2O5 and a molecular weight of 464.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID16817375
Molecular FormulaC25H21ClN2O5
Molecular Weight464.91 g/mol
Exact Mass464.11
IUPAC NameN-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CC(=O)Nc2c(C(=O)Nc3cccc(Cl)c3)oc3ccccc23)cc1OC
InChIInChI=1S/C25H21ClN2O5/c1-31-20-11-10-15(12-21(20)32-2)13-22(29)28-23-18-8-3-4-9-19(18)33-24(23)25(30)27-17-7-5-6-16(26)14-17/h3-12,14H,13H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyQMUQYSAQYDJONC-UHFFFAOYSA-N
XLogP5.54
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.91
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817718
3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 1267238
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
N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide
CID 108949928
N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16818095
N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide
CID 7501810
N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide
CID 110827128
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814295
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 139582504
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-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide (CID 16817375) is N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide is COc1ccc(CC(=O)Nc2c(C(=O)Nc3cccc(Cl)c3)oc3ccccc23)cc1OC.
What is the InChIKey of N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is QMUQYSAQYDJONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O5/c1-31-20-11-10-15(12-21(20)32-2)13-22(29)28-23-18-8-3-4-9-19(18)33-24(23)25(30)27-17-7-5-6-16(26)14-17/h3-12,14H,13H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 464.91 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16817375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).