(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide

C18H17Cl2NO2 — CID 37494142

IUPAC(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C18H17Cl2NO2/c1-11(14-8-7-13(19)10-15(14)20)21(2)18(22)17-9-12-5-3-4-6-16(12)23-17/h3-8,10-11,17H,9H2,1-2H3/t11-,17-/m0/s1
InChIKeyFFUNRRNUVRIWPH-GTNSWQLSSA-N
MW350.25 g/mol
LogP4.52
Rot. Bonds3

About (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 37494142) has the molecular formula C18H17Cl2NO2 and a molecular weight of 350.25 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID37494142
Molecular FormulaC18H17Cl2NO2
Molecular Weight350.25 g/mol
Exact Mass349.06
IUPAC Name(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C18H17Cl2NO2/c1-11(14-8-7-13(19)10-15(14)20)21(2)18(22)17-9-12-5-3-4-6-16(12)23-17/h3-8,10-11,17H,9H2,1-2H3/t11-,17-/m0/s1
InChIKeyFFUNRRNUVRIWPH-GTNSWQLSSA-N
XLogP4.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51232488
2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]propanoic acid
CID 55098742
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25354183
(2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51932993
2-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60953769
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide
CID 66239454
5-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51233148
(3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 132502482
(2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9087960
(2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120621643
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide
CID 51188217

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 37494142) is (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide is C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1Cc2ccccc2O1.
What is the InChIKey of (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is FFUNRRNUVRIWPH-GTNSWQLSSA-N. The full InChI is InChI=1S/C18H17Cl2NO2/c1-11(14-8-7-13(19)10-15(14)20)21(2)18(22)17-9-12-5-3-4-6-16(12)23-17/h3-8,10-11,17H,9H2,1-2H3/t11-,17-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 350.25 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 37494142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).