N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide

C13H16ClNO2 — CID 63395170

IUPACN-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCN(CCCl)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H16ClNO2/c1-2-15(7-6-14)13(16)11-3-4-12-10(9-11)5-8-17-12/h3-4,9H,2,5-8H2,1H3
InChIKeyQSSNPZDNFSRTEL-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.32
Rot. Bonds4

About N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide

N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 63395170) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID63395170
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC NameN-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCN(CCCl)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H16ClNO2/c1-2-15(7-6-14)13(16)11-3-4-12-10(9-11)5-8-17-12/h3-4,9H,2,5-8H2,1H3
InChIKeyQSSNPZDNFSRTEL-UHFFFAOYSA-N
XLogP2.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 76936987
2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid
CID 61013012
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 79698342
N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63233821
N-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 60682298
4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide
CID 51177921
3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid
CID 120516834
N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693378
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
N-[2-(chloromethyl)-2-ethylbutyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106253171
N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114618555

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 63395170) is N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide is CCN(CCCl)C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is QSSNPZDNFSRTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-2-15(7-6-14)13(16)11-3-4-12-10(9-11)5-8-17-12/h3-4,9H,2,5-8H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 63395170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).