(2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C16H11ClN2O2 — CID 26689499

IUPAC(2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1
InChIInChI=1S/C16H11ClN2O2/c17-12-3-6-14-11(7-12)8-15(21-14)16(20)19-13-4-1-10(9-18)2-5-13/h1-7,15H,8H2,(H,19,20)/t15-/m1/s1
InChIKeyTYJBPANYNDQYNH-OAHLLOKOSA-N
MW298.73 g/mol
LogP3.15
Rot. Bonds2

About (2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 26689499) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is (2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID26689499
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name(2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1
InChIInChI=1S/C16H11ClN2O2/c17-12-3-6-14-11(7-12)8-15(21-14)16(20)19-13-4-1-10(9-18)2-5-13/h1-7,15H,8H2,(H,19,20)/t15-/m1/s1
InChIKeyTYJBPANYNDQYNH-OAHLLOKOSA-N
XLogP3.15
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 26689499) is (2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is N#Cc1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1.
What is the InChIKey of (2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is TYJBPANYNDQYNH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-3-6-14-11(7-12)8-15(21-14)16(20)19-13-4-1-10(9-18)2-5-13/h1-7,15H,8H2,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26689499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).