(2S)-N-[[(2S)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide

C21H22ClNO3 — CID 26322064

IUPAC(2S)-N-[[(2S)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide
SMILESCc1cc2c(c(-c3ccc(Cl)cc3)c1)O[C@H](CNC(=O)[C@@H]1CCCO1)C2
InChIInChI=1S/C21H22ClNO3/c1-13-9-15-11-17(12-23-21(24)19-3-2-8-25-19)26-20(15)18(10-13)14-4-6-16(22)7-5-14/h4-7,9-10,17,19H,2-3,8,11-12H2,1H3,(H,23,24)/t17-,19-/m0/s1
InChIKeyKWLFBHKNEMQRJC-HKUYNNGSSA-N
MW371.86 g/mol
LogP3.91
Rot. Bonds4

About (2S)-N-[[(2S)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide

(2S)-N-[[(2S)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide (PubChem CID 26322064) has the molecular formula C21H22ClNO3 and a molecular weight of 371.86 g/mol. Its IUPAC name is (2S)-N-[[(2S)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[(2S)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide
PubChem CID26322064
Molecular FormulaC21H22ClNO3
Molecular Weight371.86 g/mol
Exact Mass371.13
IUPAC Name(2S)-N-[[(2S)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide
SMILESCc1cc2c(c(-c3ccc(Cl)cc3)c1)O[C@H](CNC(=O)[C@@H]1CCCO1)C2
InChIInChI=1S/C21H22ClNO3/c1-13-9-15-11-17(12-23-21(24)19-3-2-8-25-19)26-20(15)18(10-13)14-4-6-16(22)7-5-14/h4-7,9-10,17,19H,2-3,8,11-12H2,1H3,(H,23,24)/t17-,19-/m0/s1
InChIKeyKWLFBHKNEMQRJC-HKUYNNGSSA-N
XLogP3.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide
CID 42407934
methyl 4-[[(2R)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxobutanoate
CID 42501902
N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide
CID 45165954
5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
CID 126467458
[7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl 4-methylbenzenesulfonate
CID 86599322
methyl 4-[5-chloro-2-[[(1-methylpiperidine-3-carbonyl)amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate
CID 45210226
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
(3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 26353536
N-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 135914434
(2R)-N-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]oxolane-2-carboxamide
CID 92567594
N-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,6-trifluorobenzamide
CID 45214747
N-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 45181249

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[[(2S)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide (CID 26322064) is (2S)-N-[[(2S)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[[(2S)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[[(2S)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide is Cc1cc2c(c(-c3ccc(Cl)cc3)c1)O[C@H](CNC(=O)[C@@H]1CCCO1)C2.
What is the InChIKey of (2S)-N-[[(2S)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide?
The InChIKey is KWLFBHKNEMQRJC-HKUYNNGSSA-N. The full InChI is InChI=1S/C21H22ClNO3/c1-13-9-15-11-17(12-23-21(24)19-3-2-8-25-19)26-20(15)18(10-13)14-4-6-16(22)7-5-14/h4-7,9-10,17,19H,2-3,8,11-12H2,1H3,(H,23,24)/t17-,19-/m0/s1.
What are the key properties of (2S)-N-[[(2S)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide?
(2S)-N-[[(2S)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide has a molecular weight of 371.86 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2S)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 26322064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).