N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide

C17H16FNO2 — CID 92756956

IUPACN-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC[C@@H]1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H16FNO2/c1-11-4-2-3-5-15(11)17(20)19-10-14-9-12-8-13(18)6-7-16(12)21-14/h2-8,14H,9-10H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyAHZUNZSMYKPCMU-AWEZNQCLSA-N
MW285.32 g/mol
LogP2.87
Rot. Bonds3

About N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide

N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide (PubChem CID 92756956) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide
PubChem CID92756956
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC NameN-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC[C@@H]1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H16FNO2/c1-11-4-2-3-5-15(11)17(20)19-10-14-9-12-8-13(18)6-7-16(12)21-14/h2-8,14H,9-10H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyAHZUNZSMYKPCMU-AWEZNQCLSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide (CID 92756956) is N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC[C@@H]1Cc2cc(F)ccc2O1.
What is the InChIKey of N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide?
The InChIKey is AHZUNZSMYKPCMU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-11-4-2-3-5-15(11)17(20)19-10-14-9-12-8-13(18)6-7-16(12)21-14/h2-8,14H,9-10H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide?
N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide has a molecular weight of 285.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 92756956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).