3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide

C20H19N3O4 — CID 167790473

IUPAC3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1
InChIInChI=1S/C20H19N3O4/c1-11(2)19(25)22-13-9-7-12(8-10-13)20(26)23-16-14-5-3-4-6-15(14)27-17(16)18(21)24/h3-11H,1-2H3,(H2,21,24)(H,22,25)(H,23,26)
InChIKeyGXSMACMQUBMIJC-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.38
Rot. Bonds5

About 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide

3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 167790473) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
PubChem CID167790473
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1
InChIInChI=1S/C20H19N3O4/c1-11(2)19(25)22-13-9-7-12(8-10-13)20(26)23-16-14-5-3-4-6-15(14)27-17(16)18(21)24/h3-11H,1-2H3,(H2,21,24)(H,22,25)(H,23,26)
InChIKeyGXSMACMQUBMIJC-UHFFFAOYSA-N
XLogP3.38
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 5051440
3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 3517374
3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 16822812
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
3-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3608343
3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7266821
3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7385755
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 7239318
3-benzamido-5-chloro-1-benzofuran-2-carboxamide
CID 19661939
3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 41362468

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide (CID 167790473) is 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide is CC(C)C(=O)Nc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1.
What is the InChIKey of 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is GXSMACMQUBMIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-11(2)19(25)22-13-9-7-12(8-10-13)20(26)23-16-14-5-3-4-6-15(14)27-17(16)18(21)24/h3-11H,1-2H3,(H2,21,24)(H,22,25)(H,23,26).
What are the key properties of 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide?
3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 167790473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).