N-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide

C20H17FN2O3 — CID 42432354

IUPACN-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC[C@@H]1Cc2c(F)ccc(-c3ccncc3)c2O1
InChIInChI=1S/C20H17FN2O3/c1-12-6-9-25-18(12)20(24)23-11-14-10-16-17(21)3-2-15(19(16)26-14)13-4-7-22-8-5-13/h2-9,14H,10-11H2,1H3,(H,23,24)/t14-/m0/s1
InChIKeyZUZHFPQXWHVIMB-AWEZNQCLSA-N
MW352.37 g/mol
LogP3.52
Rot. Bonds4

About N-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide

N-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide (PubChem CID 42432354) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide
PubChem CID42432354
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC NameN-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC[C@@H]1Cc2c(F)ccc(-c3ccncc3)c2O1
InChIInChI=1S/C20H17FN2O3/c1-12-6-9-25-18(12)20(24)23-11-14-10-16-17(21)3-2-15(19(16)26-14)13-4-7-22-8-5-13/h2-9,14H,10-11H2,1H3,(H,23,24)/t14-/m0/s1
InChIKeyZUZHFPQXWHVIMB-AWEZNQCLSA-N
XLogP3.52
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 125172610
4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 45230085
N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide
CID 45186965
N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 45181356
N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-2-carboxamide
CID 42398609
N-[[(2R)-7-[4-(cyclopropanecarbonyl)phenyl]-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 29085476
N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dimethylbenzamide
CID 42340372
N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,4-difluorobenzamide
CID 42164441
N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 45171979
N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 45243143
2-(cyclohexen-1-yl)-N-[[(2R)-4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 26338519
N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide
CID 45175604

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide (CID 42432354) is N-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NC[C@@H]1Cc2c(F)ccc(-c3ccncc3)c2O1.
What is the InChIKey of N-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide?
The InChIKey is ZUZHFPQXWHVIMB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-12-6-9-25-18(12)20(24)23-11-14-10-16-17(21)3-2-15(19(16)26-14)13-4-7-22-8-5-13/h2-9,14H,10-11H2,1H3,(H,23,24)/t14-/m0/s1.
What are the key properties of N-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide?
N-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 42432354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).