N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide

C17H15NO3 — CID 62199751

IUPACN-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide
SMILESCN(C=O)c1ccc(C(=O)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C17H15NO3/c1-18(11-19)15-5-2-12(3-6-15)17(20)14-4-7-16-13(10-14)8-9-21-16/h2-7,10-11H,8-9H2,1H3
InChIKeyKKEHWHWVAOXGMM-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.45
Rot. Bonds4

About N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide

N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide (PubChem CID 62199751) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide
PubChem CID62199751
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC NameN-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide
SMILESCN(C=O)c1ccc(C(=O)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C17H15NO3/c1-18(11-19)15-5-2-12(3-6-15)17(20)14-4-7-16-13(10-14)8-9-21-16/h2-7,10-11H,8-9H2,1H3
InChIKeyKKEHWHWVAOXGMM-UHFFFAOYSA-N
XLogP2.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methanone
CID 43338476
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
CID 114819434
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
CID 115175533
2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone
CID 43462923
(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82875088
2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877027
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide?
The IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide (CID 62199751) is N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide?
The canonical SMILES for N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide is CN(C=O)c1ccc(C(=O)c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide?
The InChIKey is KKEHWHWVAOXGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-18(11-19)15-5-2-12(3-6-15)17(20)14-4-7-16-13(10-14)8-9-21-16/h2-7,10-11H,8-9H2,1H3.
What are the key properties of N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide?
N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide has a molecular weight of 281.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide is sourced from PubChem (CID 62199751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).