(2R)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ylpropanamide

C20H23FN4O3 — CID 30852978

IUPAC(2R)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ylpropanamide
SMILESC[C@H](C(=O)NC[C@@H]1Cc2cc(F)cc(-c3cncnc3)c2O1)N1CCOCC1
InChIInChI=1S/C20H23FN4O3/c1-13(25-2-4-27-5-3-25)20(26)24-11-17-7-14-6-16(21)8-18(19(14)28-17)15-9-22-12-23-10-15/h6,8-10,12-13,17H,2-5,7,11H2,1H3,(H,24,26)/t13-,17+/m1/s1
InChIKeySWFFTPOWRPFQCI-DYVFJYSZSA-N
MW386.43 g/mol
LogP1.42
Rot. Bonds5

About (2R)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ylpropanamide

(2R)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ylpropanamide (PubChem CID 30852978) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is (2R)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ylpropanamide
PubChem CID30852978
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name(2R)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ylpropanamide
SMILESC[C@H](C(=O)NC[C@@H]1Cc2cc(F)cc(-c3cncnc3)c2O1)N1CCOCC1
InChIInChI=1S/C20H23FN4O3/c1-13(25-2-4-27-5-3-25)20(26)24-11-17-7-14-6-16(21)8-18(19(14)28-17)15-9-22-12-23-10-15/h6,8-10,12-13,17H,2-5,7,11H2,1H3,(H,24,26)/t13-,17+/m1/s1
InChIKeySWFFTPOWRPFQCI-DYVFJYSZSA-N
XLogP1.42
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-difluorophenyl)-N-[(5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45176529
2-(cyclohexen-1-yl)-N-[(5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45169128
N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 26342022
(2R)-2-morpholin-4-yl-N-[[(2R)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 29256735
N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methoxyphenyl)propanamide
CID 42436888
2,4,5-trifluoro-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45165731
(1R)-N-[[(2R)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 42340244
N-[[(2R)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 42371101
N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45167267
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ylpropanamide
CID 45154797
N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 58747562
(E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methylpent-2-enamide
CID 45179383

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ylpropanamide?
The IUPAC name of (2R)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ylpropanamide (CID 30852978) is (2R)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for (2R)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ylpropanamide?
The canonical SMILES for (2R)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ylpropanamide is C[C@H](C(=O)NC[C@@H]1Cc2cc(F)cc(-c3cncnc3)c2O1)N1CCOCC1.
What is the InChIKey of (2R)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ylpropanamide?
The InChIKey is SWFFTPOWRPFQCI-DYVFJYSZSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-13(25-2-4-27-5-3-25)20(26)24-11-17-7-14-6-16(21)8-18(19(14)28-17)15-9-22-12-23-10-15/h6,8-10,12-13,17H,2-5,7,11H2,1H3,(H,24,26)/t13-,17+/m1/s1.
What are the key properties of (2R)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ylpropanamide?
(2R)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ylpropanamide has a molecular weight of 386.43 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 30852978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).