4-amino-N-[2-(2,2-dimethylpropanoyl)-1-benzofuran-5-yl]benzamide

C20H20N2O3 — CID 134285569

IUPAC4-amino-N-[2-(2,2-dimethylpropanoyl)-1-benzofuran-5-yl]benzamide
SMILESCC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(N)cc3)ccc2o1
InChIInChI=1S/C20H20N2O3/c1-20(2,3)18(23)17-11-13-10-15(8-9-16(13)25-17)22-19(24)12-4-6-14(21)7-5-12/h4-11H,21H2,1-3H3,(H,22,24)
InChIKeyBABXYBWFPHTETB-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.50
Rot. Bonds3

About 4-amino-N-[2-(2,2-dimethylpropanoyl)-1-benzofuran-5-yl]benzamide

4-amino-N-[2-(2,2-dimethylpropanoyl)-1-benzofuran-5-yl]benzamide (PubChem CID 134285569) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-amino-N-[2-(2,2-dimethylpropanoyl)-1-benzofuran-5-yl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,2-dimethylpropanoyl)-1-benzofuran-5-yl]benzamide
PubChem CID134285569
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name4-amino-N-[2-(2,2-dimethylpropanoyl)-1-benzofuran-5-yl]benzamide
SMILESCC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(N)cc3)ccc2o1
InChIInChI=1S/C20H20N2O3/c1-20(2,3)18(23)17-11-13-10-15(8-9-16(13)25-17)22-19(24)12-4-6-14(21)7-5-12/h4-11H,21H2,1-3H3,(H,22,24)
InChIKeyBABXYBWFPHTETB-UHFFFAOYSA-N
XLogP4.50
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
CID 60945682
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride
CID 75526044
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22775944
1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 13148492
5-amino-N-tert-butyl-1-benzofuran-2-carboxamide
CID 61092383
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
ethyl 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-benzofuran-2-carboxylate
CID 10575476
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide
CID 58408621
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane
CID 144512975
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,2-dimethylpropanoyl)-1-benzofuran-5-yl]benzamide?
The IUPAC name of 4-amino-N-[2-(2,2-dimethylpropanoyl)-1-benzofuran-5-yl]benzamide (CID 134285569) is 4-amino-N-[2-(2,2-dimethylpropanoyl)-1-benzofuran-5-yl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(2,2-dimethylpropanoyl)-1-benzofuran-5-yl]benzamide?
The canonical SMILES for 4-amino-N-[2-(2,2-dimethylpropanoyl)-1-benzofuran-5-yl]benzamide is CC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(N)cc3)ccc2o1.
What is the InChIKey of 4-amino-N-[2-(2,2-dimethylpropanoyl)-1-benzofuran-5-yl]benzamide?
The InChIKey is BABXYBWFPHTETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-20(2,3)18(23)17-11-13-10-15(8-9-16(13)25-17)22-19(24)12-4-6-14(21)7-5-12/h4-11H,21H2,1-3H3,(H,22,24).
What are the key properties of 4-amino-N-[2-(2,2-dimethylpropanoyl)-1-benzofuran-5-yl]benzamide?
4-amino-N-[2-(2,2-dimethylpropanoyl)-1-benzofuran-5-yl]benzamide has a molecular weight of 336.39 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,2-dimethylpropanoyl)-1-benzofuran-5-yl]benzamide is sourced from PubChem (CID 134285569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).