(2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C16H13ClFNO2 — CID 26705155

IUPAC(2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccc1F)[C@@H]1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C16H13ClFNO2/c17-12-5-6-14-11(7-12)8-15(21-14)16(20)19-9-10-3-1-2-4-13(10)18/h1-7,15H,8-9H2,(H,19,20)/t15-/m0/s1
InChIKeyVTMOJSMNKYQFSO-HNNXBMFYSA-N
MW305.74 g/mol
LogP3.10
Rot. Bonds3

About (2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 26705155) has the molecular formula C16H13ClFNO2 and a molecular weight of 305.74 g/mol. Its IUPAC name is (2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID26705155
Molecular FormulaC16H13ClFNO2
Molecular Weight305.74 g/mol
Exact Mass305.06
IUPAC Name(2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccc1F)[C@@H]1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C16H13ClFNO2/c17-12-5-6-14-11(7-12)8-15(21-14)16(20)19-9-10-3-1-2-4-13(10)18/h1-7,15H,8-9H2,(H,19,20)/t15-/m0/s1
InChIKeyVTMOJSMNKYQFSO-HNNXBMFYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 26705155) is (2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCc1ccccc1F)[C@@H]1Cc2cc(Cl)ccc2O1.
What is the InChIKey of (2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is VTMOJSMNKYQFSO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H13ClFNO2/c17-12-5-6-14-11(7-12)8-15(21-14)16(20)19-9-10-3-1-2-4-13(10)18/h1-7,15H,8-9H2,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 305.74 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26705155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).