5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide

C17H16N2O2 — CID 61090937

IUPAC5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3cc(N)ccc3o2)c1C
InChIInChI=1S/C17H16N2O2/c1-10-4-3-5-14(11(10)2)19-17(20)16-9-12-8-13(18)6-7-15(12)21-16/h3-9H,18H2,1-2H3,(H,19,20)
InChIKeySVSBULPLHIBAIL-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.88
Rot. Bonds2

About 5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide

5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 61090937) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
PubChem CID61090937
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3cc(N)ccc3o2)c1C
InChIInChI=1S/C17H16N2O2/c1-10-4-3-5-14(11(10)2)19-17(20)16-9-12-8-13(18)6-7-15(12)21-16/h3-9H,18H2,1-2H3,(H,19,20)
InChIKeySVSBULPLHIBAIL-UHFFFAOYSA-N
XLogP3.88
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 38885789
4-amino-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 62156095
6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 2987293
5-amino-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 61090377
N-(2,3-dimethylphenyl)-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888863
5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973
5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 61113384
N-(2-aminophenyl)-6,7-dimethyl-1-benzofuran-2-carboxamide
CID 91099174
5-amino-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 61093527
5-amino-N-tert-butyl-1-benzofuran-2-carboxamide
CID 61092383
(2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide
CID 45146908
5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 82108737

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide (CID 61090937) is 5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide is Cc1cccc(NC(=O)c2cc3cc(N)ccc3o2)c1C.
What is the InChIKey of 5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is SVSBULPLHIBAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-4-3-5-14(11(10)2)19-17(20)16-9-12-8-13(18)6-7-15(12)21-16/h3-9H,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide?
5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61090937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).