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

C16H11F4NO2 — CID 92757698

IUPACN-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-difluorobenzamide
SMILESO=C(NC[C@@H]1Cc2cc(F)cc(F)c2O1)c1cc(F)ccc1F
InChIInChI=1S/C16H11F4NO2/c17-9-1-2-13(19)12(5-9)16(22)21-7-11-4-8-3-10(18)6-14(20)15(8)23-11/h1-3,5-6,11H,4,7H2,(H,21,22)/t11-/m0/s1
InChIKeyBTHNOLXXPCVQNQ-NSHDSACASA-N
MW325.26 g/mol
LogP2.98
Rot. Bonds3

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

N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-difluorobenzamide (PubChem CID 92757698) has the molecular formula C16H11F4NO2 and a molecular weight of 325.26 g/mol. Its IUPAC name is N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-difluorobenzamide
PubChem CID92757698
Molecular FormulaC16H11F4NO2
Molecular Weight325.26 g/mol
Exact Mass325.07
IUPAC NameN-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-difluorobenzamide
SMILESO=C(NC[C@@H]1Cc2cc(F)cc(F)c2O1)c1cc(F)ccc1F
InChIInChI=1S/C16H11F4NO2/c17-9-1-2-13(19)12(5-9)16(22)21-7-11-4-8-3-10(18)6-14(20)15(8)23-11/h1-3,5-6,11H,4,7H2,(H,21,22)/t11-/m0/s1
InChIKeyBTHNOLXXPCVQNQ-NSHDSACASA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-difluorobenzamide with MolForge

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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-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92757001
2,5-difluoro-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45178279
N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide
CID 42164441
N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide
CID 92756956
4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92756967
2,5-difluoro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]benzamide
CID 19602509
N-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide
CID 92757198
N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 58747562
N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 46090263
N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 45182302

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-difluorobenzamide?
The IUPAC name of N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-difluorobenzamide (CID 92757698) is N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-difluorobenzamide is O=C(NC[C@@H]1Cc2cc(F)cc(F)c2O1)c1cc(F)ccc1F.
What is the InChIKey of N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-difluorobenzamide?
The InChIKey is BTHNOLXXPCVQNQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H11F4NO2/c17-9-1-2-13(19)12(5-9)16(22)21-7-11-4-8-3-10(18)6-14(20)15(8)23-11/h1-3,5-6,11H,4,7H2,(H,21,22)/t11-/m0/s1.
What are the key properties of N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-difluorobenzamide?
N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-difluorobenzamide has a molecular weight of 325.26 g/mol, XLogP of 2.98, 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]-2,5-difluorobenzamide is sourced from PubChem (CID 92757698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).