N-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

C17H15Cl2NO2 — CID 11959892

IUPACN-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1Cc2cc(Cl)cc(-c3ccccc3Cl)c2O1
InChIInChI=1S/C17H15Cl2NO2/c1-10(21)20-9-13-7-11-6-12(18)8-15(17(11)22-13)14-4-2-3-5-16(14)19/h2-6,8,13H,7,9H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyXEFHKRBXEOUABQ-CYBMUJFWSA-N
MW336.22 g/mol
LogP4.10
Rot. Bonds3

About N-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

N-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (PubChem CID 11959892) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is N-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
PubChem CID11959892
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC NameN-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1Cc2cc(Cl)cc(-c3ccccc3Cl)c2O1
InChIInChI=1S/C17H15Cl2NO2/c1-10(21)20-9-13-7-11-6-12(18)8-15(17(11)22-13)14-4-2-3-5-16(14)19/h2-6,8,13H,7,9H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyXEFHKRBXEOUABQ-CYBMUJFWSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[[5-chloro-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate
CID 86599255
N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 58747562
(2R)-N-[[(2R)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxypropanamide
CID 42324095
(2S)-N-[[(2R)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxypropanamide
CID 42324103
N-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide
CID 95211710
1-[6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 68966040
[(2R)-5-chloro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383347
[5-chloro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960947
N-[[(2R)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-naphthalen-1-ylacetamide
CID 42212992
methyl 3-[(2R)-2-(acetamidomethyl)-7-chloro-2,3-dihydro-1-benzofuran-5-yl]benzoate
CID 26345434
benzyl N-[[7-(2,4,6-trichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate
CID 86599163
N-[[(2S)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 125158691

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (CID 11959892) is N-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is CC(=O)NC[C@H]1Cc2cc(Cl)cc(-c3ccccc3Cl)c2O1.
What is the InChIKey of N-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The InChIKey is XEFHKRBXEOUABQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c1-10(21)20-9-13-7-11-6-12(18)8-15(17(11)22-13)14-4-2-3-5-16(14)19/h2-6,8,13H,7,9H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of N-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
N-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide has a molecular weight of 336.22 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is sourced from PubChem (CID 11959892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).