N-[3-(7-chloro-2,3-dihydro-1-benzofuran-4-yl)propyl]acetamide

C13H16ClNO2 — CID 19611702

IUPACN-[3-(7-chloro-2,3-dihydro-1-benzofuran-4-yl)propyl]acetamide
SMILESCC(=O)NCCCc1ccc(Cl)c2c1CCO2
InChIInChI=1S/C13H16ClNO2/c1-9(16)15-7-2-3-10-4-5-12(14)13-11(10)6-8-17-13/h4-5H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyLESBTXPFINROSR-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.34
Rot. Bonds4

About N-[3-(7-chloro-2,3-dihydro-1-benzofuran-4-yl)propyl]acetamide

N-[3-(7-chloro-2,3-dihydro-1-benzofuran-4-yl)propyl]acetamide (PubChem CID 19611702) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is N-[3-(7-chloro-2,3-dihydro-1-benzofuran-4-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(7-chloro-2,3-dihydro-1-benzofuran-4-yl)propyl]acetamide
PubChem CID19611702
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC NameN-[3-(7-chloro-2,3-dihydro-1-benzofuran-4-yl)propyl]acetamide
SMILESCC(=O)NCCCc1ccc(Cl)c2c1CCO2
InChIInChI=1S/C13H16ClNO2/c1-9(16)15-7-2-3-10-4-5-12(14)13-11(10)6-8-17-13/h4-5H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyLESBTXPFINROSR-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-4-propyl-2,3-dihydro-1-benzofuran
CID 168905043
N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide
CID 110609861
N-(2-acetamidoethyl)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 31947484
N-[3-(5-chloro-1-benzofuran-4-yl)propyl]acetamide
CID 19611639
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
N-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)acetamide
CID 151540497
4-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 117429741
N-[3-(3-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propyl]acetamide
CID 70119901
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran
CID 158971605
3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)propan-1-ol
CID 117358688
3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine
CID 19611649

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-chloro-2,3-dihydro-1-benzofuran-4-yl)propyl]acetamide?
The IUPAC name of N-[3-(7-chloro-2,3-dihydro-1-benzofuran-4-yl)propyl]acetamide (CID 19611702) is N-[3-(7-chloro-2,3-dihydro-1-benzofuran-4-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(7-chloro-2,3-dihydro-1-benzofuran-4-yl)propyl]acetamide?
The canonical SMILES for N-[3-(7-chloro-2,3-dihydro-1-benzofuran-4-yl)propyl]acetamide is CC(=O)NCCCc1ccc(Cl)c2c1CCO2.
What is the InChIKey of N-[3-(7-chloro-2,3-dihydro-1-benzofuran-4-yl)propyl]acetamide?
The InChIKey is LESBTXPFINROSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-9(16)15-7-2-3-10-4-5-12(14)13-11(10)6-8-17-13/h4-5H,2-3,6-8H2,1H3,(H,15,16).
What are the key properties of N-[3-(7-chloro-2,3-dihydro-1-benzofuran-4-yl)propyl]acetamide?
N-[3-(7-chloro-2,3-dihydro-1-benzofuran-4-yl)propyl]acetamide has a molecular weight of 253.73 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-chloro-2,3-dihydro-1-benzofuran-4-yl)propyl]acetamide is sourced from PubChem (CID 19611702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).