3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide

C13H16ClNO2 — CID 115162653

IUPAC3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide
SMILESO=C(CCCl)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C13H16ClNO2/c14-6-3-13(16)15-7-4-10-1-2-12-11(9-10)5-8-17-12/h1-2,9H,3-8H2,(H,15,16)
InChIKeyYWEMMRQSLAIIQD-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.91
Rot. Bonds5

About 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide

3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide (PubChem CID 115162653) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide
PubChem CID115162653
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide
SMILESO=C(CCCl)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C13H16ClNO2/c14-6-3-13(16)15-7-4-10-1-2-12-11(9-10)5-8-17-12/h1-2,9H,3-8H2,(H,15,16)
InChIKeyYWEMMRQSLAIIQD-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
CID 110790414
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110792396
2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]acetamide
CID 122136652
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110792404
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenoxypropanamide
CID 110792383
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 53352132
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-thiophen-3-ylacetamide
CID 119041803
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 110792398
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110792403
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 71754922

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide (CID 115162653) is 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide is O=C(CCCl)NCCc1ccc2c(c1)CCO2.
What is the InChIKey of 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide?
The InChIKey is YWEMMRQSLAIIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-6-3-13(16)15-7-4-10-1-2-12-11(9-10)5-8-17-12/h1-2,9H,3-8H2,(H,15,16).
What are the key properties of 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide?
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide has a molecular weight of 253.73 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide is sourced from PubChem (CID 115162653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).