N-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide

C17H16FNO3 — CID 92757198

IUPACN-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC[C@@H]1Cc2cccc(F)c2O1
InChIInChI=1S/C17H16FNO3/c1-21-15-8-3-2-6-13(15)17(20)19-10-12-9-11-5-4-7-14(18)16(11)22-12/h2-8,12H,9-10H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyMPKUTGIDJBGTDB-LBPRGKRZSA-N
MW301.32 g/mol
LogP2.57
Rot. Bonds4

About N-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide

N-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide (PubChem CID 92757198) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide
PubChem CID92757198
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC NameN-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC[C@@H]1Cc2cccc(F)c2O1
InChIInChI=1S/C17H16FNO3/c1-21-15-8-3-2-6-13(15)17(20)19-10-12-9-11-5-4-7-14(18)16(11)22-12/h2-8,12H,9-10H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyMPKUTGIDJBGTDB-LBPRGKRZSA-N
XLogP2.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 46090263
N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide
CID 92757743
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80710892
2,3,4-trimethoxy-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45166821
2-bromo-N-[(5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46090136
2,6-difluoro-N-[[(2R)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42317883
N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide
CID 26346604
N-[[7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide
CID 45210934
N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide
CID 26346602
N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-difluorobenzamide
CID 92757698
2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide
CID 115678361
2-(cyclopropylmethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 86877169

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide (CID 92757198) is N-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC[C@@H]1Cc2cccc(F)c2O1.
What is the InChIKey of N-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide?
The InChIKey is MPKUTGIDJBGTDB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-21-15-8-3-2-6-13(15)17(20)19-10-12-9-11-5-4-7-14(18)16(11)22-12/h2-8,12H,9-10H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of N-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide?
N-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide has a molecular weight of 301.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 92757198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).