N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide

C16H13F2NO2 — CID 92757001

IUPACN-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1Cc2cc(F)cc(F)c2O1)c1ccccc1
InChIInChI=1S/C16H13F2NO2/c17-12-6-11-7-13(21-15(11)14(18)8-12)9-19-16(20)10-4-2-1-3-5-10/h1-6,8,13H,7,9H2,(H,19,20)/t13-/m0/s1
InChIKeyBXXRACDHVJSWHQ-ZDUSSCGKSA-N
MW289.28 g/mol
LogP2.70
Rot. Bonds3

About N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide

N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide (PubChem CID 92757001) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
PubChem CID92757001
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC NameN-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1Cc2cc(F)cc(F)c2O1)c1ccccc1
InChIInChI=1S/C16H13F2NO2/c17-12-6-11-7-13(21-15(11)14(18)8-12)9-19-16(20)10-4-2-1-3-5-10/h1-6,8,13H,7,9H2,(H,19,20)/t13-/m0/s1
InChIKeyBXXRACDHVJSWHQ-ZDUSSCGKSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide
CID 92757743
2-bromo-N-[(5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46090136
N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45168534
N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-difluorobenzamide
CID 92757698
4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92756967
2,5-difluoro-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45178279
N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide
CID 42407346
N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 45183138
N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 58747562
N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 126465677
N-[[(2R)-5-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 42375967
4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46082466

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide (CID 92757001) is N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide is O=C(NC[C@@H]1Cc2cc(F)cc(F)c2O1)c1ccccc1.
What is the InChIKey of N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?
The InChIKey is BXXRACDHVJSWHQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-12-6-11-7-13(21-15(11)14(18)8-12)9-19-16(20)10-4-2-1-3-5-10/h1-6,8,13H,7,9H2,(H,19,20)/t13-/m0/s1.
What are the key properties of N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?
N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide has a molecular weight of 289.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide is sourced from PubChem (CID 92757001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).