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

C17H18N2O2 — CID 104757107

IUPACN-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2COc3ccccc32)cc1N
InChIInChI=1S/C17H18N2O2/c1-10-7-11(2)15(8-14(10)18)19-17(20)13-9-21-16-6-4-3-5-12(13)16/h3-8,13H,9,18H2,1-2H3,(H,19,20)
InChIKeyAUPWNOTWGUPKCU-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.00
Rot. Bonds2

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

N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 104757107) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID104757107
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2COc3ccccc32)cc1N
InChIInChI=1S/C17H18N2O2/c1-10-7-11(2)15(8-14(10)18)19-17(20)13-9-21-16-6-4-3-5-12(13)16/h3-8,13H,9,18H2,1-2H3,(H,19,20)
InChIKeyAUPWNOTWGUPKCU-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 79767886
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 112691407
4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82876586
N-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 107334144
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 154872380
(3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95782971
N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 104756910
(3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124588262
N-[(3-amino-2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103110112
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
(3S)-N-(5-cyano-2-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96503291

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide (CID 104757107) is N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide is Cc1cc(C)c(NC(=O)C2COc3ccccc32)cc1N.
What is the InChIKey of N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is AUPWNOTWGUPKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10-7-11(2)15(8-14(10)18)19-17(20)13-9-21-16-6-4-3-5-12(13)16/h3-8,13H,9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 104757107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).