(2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide

C19H19ClN2O3 — CID 94828080

IUPAC(2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide
SMILESO=C(N[C@H]1COc2ccccc21)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H19ClN2O3/c20-14-7-5-13(6-8-14)18-11-22(9-10-24-18)19(23)21-16-12-25-17-4-2-1-3-15(16)17/h1-8,16,18H,9-12H2,(H,21,23)/t16-,18+/m0/s1
InChIKeyLAUVVIOHTRLRRG-FUHWJXTLSA-N
MW358.83 g/mol
LogP3.56
Rot. Bonds2

About (2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide

(2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide (PubChem CID 94828080) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide
PubChem CID94828080
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name(2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide
SMILESO=C(N[C@H]1COc2ccccc21)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H19ClN2O3/c20-14-7-5-13(6-8-14)18-11-22(9-10-24-18)19(23)21-16-12-25-17-4-2-1-3-15(16)17/h1-8,16,18H,9-12H2,(H,21,23)/t16-,18+/m0/s1
InChIKeyLAUVVIOHTRLRRG-FUHWJXTLSA-N
XLogP3.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-cyclohexylmorpholine-4-carboxamide
CID 110327090
(2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide
CID 164630204
4-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 110751613
2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide
CID 87036056
[2-(2-chlorophenyl)cyclopropyl]-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 55948147
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
2-anilino-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119725525
(2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide
CID 100850236
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide (CID 94828080) is (2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide is O=C(N[C@H]1COc2ccccc21)N1CCO[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide?
The InChIKey is LAUVVIOHTRLRRG-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-14-7-5-13(6-8-14)18-11-22(9-10-24-18)19(23)21-16-12-25-17-4-2-1-3-15(16)17/h1-8,16,18H,9-12H2,(H,21,23)/t16-,18+/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide?
(2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 94828080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).