N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide

C15H18ClNO2 — CID 55204447

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)CCCCl
InChIInChI=1S/C15H18ClNO2/c1-11(17(2)15(18)8-5-9-16)14-10-12-6-3-4-7-13(12)19-14/h3-4,6-7,10-11H,5,8-9H2,1-2H3
InChIKeyLOAABRKOPDIHLL-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.97
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide

N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide (PubChem CID 55204447) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide
PubChem CID55204447
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)CCCCl
InChIInChI=1S/C15H18ClNO2/c1-11(17(2)15(18)8-5-9-16)14-10-12-6-3-4-7-13(12)19-14/h3-4,6-7,10-11H,5,8-9H2,1-2H3
InChIKeyLOAABRKOPDIHLL-UHFFFAOYSA-N
XLogP3.97
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide 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

3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(dimethylsulfamoyl)-N-methylpropanamide
CID 97251479
N-[1-(1-benzofuran-2-yl)ethyl]-4-(3-fluorophenoxy)-N-methylbutanamide
CID 55940363
N-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide
CID 63681322
3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylpropanamide
CID 51728417
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 46551191
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 111336371
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide
CID 87015123
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 39976237
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137291968
2-[[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 60503344
N-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide
CID 154771364

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide (CID 55204447) is N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide is CC(c1cc2ccccc2o1)N(C)C(=O)CCCCl.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide?
The InChIKey is LOAABRKOPDIHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-11(17(2)15(18)8-5-9-16)14-10-12-6-3-4-7-13(12)19-14/h3-4,6-7,10-11H,5,8-9H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide?
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide has a molecular weight of 279.77 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide is sourced from PubChem (CID 55204447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).