3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide

C16H16N2O2 — CID 115160758

IUPAC3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(N)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H16N2O2/c1-18(16(19)12-3-2-4-13(17)9-12)14-5-6-15-11(10-14)7-8-20-15/h2-6,9-10H,7-8,17H2,1H3
InChIKeyZYYBSBZPFVBXFL-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.48
Rot. Bonds2

About 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide

3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide (PubChem CID 115160758) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide
PubChem CID115160758
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(N)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H16N2O2/c1-18(16(19)12-3-2-4-13(17)9-12)14-5-6-15-11(10-14)7-8-20-15/h2-6,9-10H,7-8,17H2,1H3
InChIKeyZYYBSBZPFVBXFL-UHFFFAOYSA-N
XLogP2.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 115274571
N-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86963089
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
CID 115194555
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-1-methylurea
CID 115192561
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
CID 115175533
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide
CID 115161446
N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63233821
N-(3-aminophenyl)-3-bromo-N-methylbenzamide
CID 61296754
N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide
CID 61296378
N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63755933
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)benzamide
CID 34441263

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide?
The IUPAC name of 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide (CID 115160758) is 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide?
The canonical SMILES for 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide is CN(C(=O)c1cccc(N)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide?
The InChIKey is ZYYBSBZPFVBXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18(16(19)12-3-2-4-13(17)9-12)14-5-6-15-11(10-14)7-8-20-15/h2-6,9-10H,7-8,17H2,1H3.
What are the key properties of 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide?
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide has a molecular weight of 268.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide is sourced from PubChem (CID 115160758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).