5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C15H11Cl2NO2 — CID 18089364

IUPAC5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C15H11Cl2NO2/c16-10-2-1-3-12(8-10)18-15(19)14-7-9-6-11(17)4-5-13(9)20-14/h1-6,8,14H,7H2,(H,18,19)
InChIKeyZBKGMKJUPPDYPV-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.94
Rot. Bonds2

About 5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 18089364) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID18089364
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C15H11Cl2NO2/c16-10-2-1-3-12(8-10)18-15(19)14-7-9-6-11(17)4-5-13(9)20-14/h1-6,8,14H,7H2,(H,18,19)
InChIKeyZBKGMKJUPPDYPV-UHFFFAOYSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46652079
5-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55749037
5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55654534
5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17404054
(2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26689499
(2R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26692549
5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42893127
5-chloro-N-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013499
5-chloro-N-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013576
(2S)-5-chloro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 32606463
5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24639720
(2R)-5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 35035471

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 18089364) is 5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1cccc(Cl)c1)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is ZBKGMKJUPPDYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c16-10-2-1-3-12(8-10)18-15(19)14-7-9-6-11(17)4-5-13(9)20-14/h1-6,8,14H,7H2,(H,18,19).
What are the key properties of 5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 308.16 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18089364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).