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

C18H17N3O3 — CID 5051440

IUPAC3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1
InChIInChI=1S/C18H17N3O3/c1-21(2)12-9-7-11(8-10-12)18(23)20-15-13-5-3-4-6-14(13)24-16(15)17(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,23)
InChIKeyWZQVSHBBTVJQDA-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.85
Rot. Bonds4

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

3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 5051440) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
PubChem CID5051440
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1
InChIInChI=1S/C18H17N3O3/c1-21(2)12-9-7-11(8-10-12)18(23)20-15-13-5-3-4-6-14(13)24-16(15)17(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,23)
InChIKeyWZQVSHBBTVJQDA-UHFFFAOYSA-N
XLogP2.85
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
3-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3608343
3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 167790473
3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 3517374
3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7385755
3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide
CID 18558792
3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7266821
3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide
CID 2141387
3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 16822812
3-benzamido-5-chloro-1-benzofuran-2-carboxamide
CID 19661939
3-(pentanoylamino)-1-benzofuran-2-carboxamide
CID 7385691
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9259414

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide (CID 5051440) is 3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide is CN(C)c1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1.
What is the InChIKey of 3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is WZQVSHBBTVJQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-21(2)12-9-7-11(8-10-12)18(23)20-15-13-5-3-4-6-14(13)24-16(15)17(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of 3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide?
3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 5051440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).