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

C16H16N2O2 — CID 115912217

IUPACN-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCc1ccc(N)c(NC(=O)c2ccc3c(c2)COC3)c1
InChIInChI=1S/C16H16N2O2/c1-10-2-5-14(17)15(6-10)18-16(19)11-3-4-12-8-20-9-13(12)7-11/h2-7H,8-9,17H2,1H3,(H,18,19)
InChIKeyZXNAHYKUZJDGMU-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.86
Rot. Bonds2

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

N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 115912217) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID115912217
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCc1ccc(N)c(NC(=O)c2ccc3c(c2)COC3)c1
InChIInChI=1S/C16H16N2O2/c1-10-2-5-14(17)15(6-10)18-16(19)11-3-4-12-8-20-9-13(12)7-11/h2-7H,8-9,17H2,1H3,(H,18,19)
InChIKeyZXNAHYKUZJDGMU-UHFFFAOYSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-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-(2-amino-5-methylphenyl)naphthalene-2-carboxamide
CID 115912255
N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732681
N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide
CID 112557228
N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 59737553
N-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 113236962
N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 82707017
N-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 114315591
N-(2-amino-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 112557451
N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49156312
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79698757
4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide
CID 107624052
N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49163356

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 115912217) is N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide is Cc1ccc(N)c(NC(=O)c2ccc3c(c2)COC3)c1.
What is the InChIKey of N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is ZXNAHYKUZJDGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-2-5-14(17)15(6-10)18-16(19)11-3-4-12-8-20-9-13(12)7-11/h2-7H,8-9,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 115912217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).