N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide

C21H15ClF2N2O2 — CID 42164441

IUPACN-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide
SMILESO=C(NC[C@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1)c1ccc(F)cc1F
InChIInChI=1S/C21H15ClF2N2O2/c22-14-7-13-8-16(11-26-21(27)17-2-1-15(23)10-19(17)24)28-20(13)18(9-14)12-3-5-25-6-4-12/h1-7,9-10,16H,8,11H2,(H,26,27)/t16-/m1/s1
InChIKeyNOSKJWUFWMTVPO-MRXNPFEDSA-N
MW400.81 g/mol
LogP4.41
Rot. Bonds4

About N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide

N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide (PubChem CID 42164441) has the molecular formula C21H15ClF2N2O2 and a molecular weight of 400.81 g/mol. Its IUPAC name is N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide
PubChem CID42164441
Molecular FormulaC21H15ClF2N2O2
Molecular Weight400.81 g/mol
Exact Mass400.08
IUPAC NameN-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide
SMILESO=C(NC[C@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1)c1ccc(F)cc1F
InChIInChI=1S/C21H15ClF2N2O2/c22-14-7-13-8-16(11-26-21(27)17-2-1-15(23)10-19(17)24)28-20(13)18(9-14)12-3-5-25-6-4-12/h1-7,9-10,16H,8,11H2,(H,26,27)/t16-/m1/s1
InChIKeyNOSKJWUFWMTVPO-MRXNPFEDSA-N
XLogP4.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.81
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide with MolForge

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Related Compounds

N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide
CID 25465217
N-[[(2S)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 42433037
N-[[(2S)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 125158691
N-[[(2S)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 42407990
N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-difluorobenzamide
CID 92757698
N-[(5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-difluorobenzamide
CID 126462693
2,5-difluoro-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45178279
(E)-N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 42246262
2-bromo-N-[(5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46090136
2,4,5-trifluoro-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45165731
2,4,5-trifluoro-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45176680
2,4,5-trifluoro-N-[[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42168406

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide?
The IUPAC name of N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide (CID 42164441) is N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide is O=C(NC[C@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1)c1ccc(F)cc1F.
What is the InChIKey of N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide?
The InChIKey is NOSKJWUFWMTVPO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H15ClF2N2O2/c22-14-7-13-8-16(11-26-21(27)17-2-1-15(23)10-19(17)24)28-20(13)18(9-14)12-3-5-25-6-4-12/h1-7,9-10,16H,8,11H2,(H,26,27)/t16-/m1/s1.
What are the key properties of N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide?
N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide has a molecular weight of 400.81 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide is sourced from PubChem (CID 42164441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).