N-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide

C16H16N2O2 — CID 61296761

IUPACN-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(C(=O)C1Cc2ccccc2O1)c1cccc(N)c1
InChIInChI=1S/C16H16N2O2/c1-18(13-7-4-6-12(17)10-13)16(19)15-9-11-5-2-3-8-14(11)20-15/h2-8,10,15H,9,17H2,1H3
InChIKeyVMAWDCTWZSSJLF-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.24
Rot. Bonds2

About N-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide

N-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 61296761) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID61296761
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(C(=O)C1Cc2ccccc2O1)c1cccc(N)c1
InChIInChI=1S/C16H16N2O2/c1-18(13-7-4-6-12(17)10-13)16(19)15-9-11-5-2-3-8-14(11)20-15/h2-8,10,15H,9,17H2,1H3
InChIKeyVMAWDCTWZSSJLF-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-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-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 61295625
N-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 56684916
(2S)-2-[N-(2,3-dihydro-1-benzofuran-2-carbonyl)anilino]propanoic acid
CID 70369471
2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]propanoic acid
CID 55098742
2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 55123678
N-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51232488
N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698834
N-(3-aminophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
CID 65157408
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25354183
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine
CID 66363208
N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 79120299
N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61350079

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 61296761) is N-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide is CN(C(=O)C1Cc2ccccc2O1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is VMAWDCTWZSSJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18(13-7-4-6-12(17)10-13)16(19)15-9-11-5-2-3-8-14(11)20-15/h2-8,10,15H,9,17H2,1H3.
What are the key properties of N-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61296761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).