(2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide

C17H17ClN2O4 — CID 95739590

IUPAC(2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@@H](C(=O)NCc2ccco2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O4/c1-20-14(21)10-24-16(15(20)11-4-6-12(18)7-5-11)17(22)19-9-13-3-2-8-23-13/h2-8,15-16H,9-10H2,1H3,(H,19,22)/t15-,16-/m1/s1
InChIKeyMDDQNKUFCILQHO-HZPDHXFCSA-N
MW348.79 g/mol
LogP2.15
Rot. Bonds4

About (2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide

(2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide (PubChem CID 95739590) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is (2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide
PubChem CID95739590
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name(2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@@H](C(=O)NCc2ccco2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O4/c1-20-14(21)10-24-16(15(20)11-4-6-12(18)7-5-11)17(22)19-9-13-3-2-8-23-13/h2-8,15-16H,9-10H2,1H3,(H,19,22)/t15-,16-/m1/s1
InChIKeyMDDQNKUFCILQHO-HZPDHXFCSA-N
XLogP2.15
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide
CID 95739540
(2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 95739648
(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide
CID 95739719
(2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739578
(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739579
3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689376
(2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739604
(2S,3S)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739605
N-(furan-2-ylmethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 56730502
(2R,3S)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457705
3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
CID 71689388
(2S,3R)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740236

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide (CID 95739590) is (2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide is CN1C(=O)CO[C@@H](C(=O)NCc2ccco2)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The InChIKey is MDDQNKUFCILQHO-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-20-14(21)10-24-16(15(20)11-4-6-12(18)7-5-11)17(22)19-9-13-3-2-8-23-13/h2-8,15-16H,9-10H2,1H3,(H,19,22)/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide?
(2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 95739590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).