N-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-carboxamide

C17H16N2O2 — CID 103144519

IUPACN-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-carboxamide
SMILESCc1cc(NC(=O)c2coc3ccccc23)c(C)cc1N
InChIInChI=1S/C17H16N2O2/c1-10-8-15(11(2)7-14(10)18)19-17(20)13-9-21-16-6-4-3-5-12(13)16/h3-9H,18H2,1-2H3,(H,19,20)
InChIKeyNZTWYCSTWIUZDN-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.88
Rot. Bonds2

About N-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-carboxamide

N-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-carboxamide (PubChem CID 103144519) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-carboxamide
PubChem CID103144519
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-carboxamide
SMILESCc1cc(NC(=O)c2coc3ccccc23)c(C)cc1N
InChIInChI=1S/C17H16N2O2/c1-10-8-15(11(2)7-14(10)18)19-17(20)13-9-21-16-6-4-3-5-12(13)16/h3-9H,18H2,1-2H3,(H,19,20)
InChIKeyNZTWYCSTWIUZDN-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

N-(4-amino-2,5-dimethylphenyl)-2-methoxybenzamide
CID 103144625
N-[2-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114309814
N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide
CID 103144449
N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide
CID 103144635
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide
CID 103144641
2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid
CID 46846331
N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 155549718
N-(4-amino-2,5-dimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103144411
N-(4-amino-2,5-dimethylphenyl)-2-bromo-4-methylbenzamide
CID 103144537
N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114310991
N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 132941421
N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 104756953

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-carboxamide (CID 103144519) is N-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-carboxamide is Cc1cc(NC(=O)c2coc3ccccc23)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-carboxamide?
The InChIKey is NZTWYCSTWIUZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-8-15(11(2)7-14(10)18)19-17(20)13-9-21-16-6-4-3-5-12(13)16/h3-9H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-carboxamide?
N-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-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 N-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 103144519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).