N-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide

C16H20ClNO2 — CID 63681322

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)C(C)(C)CCl
InChIInChI=1S/C16H20ClNO2/c1-11(18(4)15(19)16(2,3)10-17)14-9-12-7-5-6-8-13(12)20-14/h5-9,11H,10H2,1-4H3
InChIKeyDRUJAPFCHSRJML-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.22
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide

N-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide (PubChem CID 63681322) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide
PubChem CID63681322
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)C(C)(C)CCl
InChIInChI=1S/C16H20ClNO2/c1-11(18(4)15(19)16(2,3)10-17)14-9-12-7-5-6-8-13(12)20-14/h5-9,11H,10H2,1-4H3
InChIKeyDRUJAPFCHSRJML-UHFFFAOYSA-N
XLogP4.22
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.22
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-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide
CID 55204447
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 111336371
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide
CID 61164290
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
N-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46550961
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethylbenzamide
CID 46551169
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
N-[1-(1-benzofuran-2-yl)ethyl]-N,5-dimethylfuran-2-carboxamide
CID 46551065
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(dimethylsulfamoyl)-N-methylpropanamide
CID 97251479
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 46551191
N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 46551193

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide (CID 63681322) is N-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide is CC(c1cc2ccccc2o1)N(C)C(=O)C(C)(C)CCl.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide?
The InChIKey is DRUJAPFCHSRJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-11(18(4)15(19)16(2,3)10-17)14-9-12-7-5-6-8-13(12)20-14/h5-9,11H,10H2,1-4H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide?
N-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide has a molecular weight of 293.79 g/mol, XLogP of 4.22, 4 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]-3-chloro-N,2,2-trimethylpropanamide is sourced from PubChem (CID 63681322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).