(2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide

C17H21FN2O3 — CID 95739933

IUPAC(2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NC2CCCC2)[C@@H]1c1cccc(F)c1
InChIInChI=1S/C17H21FN2O3/c1-20-14(21)10-23-16(17(22)19-13-7-2-3-8-13)15(20)11-5-4-6-12(18)9-11/h4-6,9,13,15-16H,2-3,7-8,10H2,1H3,(H,19,22)/t15-,16-/m0/s1
InChIKeyCNXZZLQJJWEGRS-HOTGVXAUSA-N
MW320.36 g/mol
LogP1.78
Rot. Bonds3

About (2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide

(2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide (PubChem CID 95739933) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is (2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
PubChem CID95739933
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name(2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NC2CCCC2)[C@@H]1c1cccc(F)c1
InChIInChI=1S/C17H21FN2O3/c1-20-14(21)10-23-16(17(22)19-13-7-2-3-8-13)15(20)11-5-4-6-12(18)9-11/h4-6,9,13,15-16H,2-3,7-8,10H2,1H3,(H,19,22)/t15-,16-/m0/s1
InChIKeyCNXZZLQJJWEGRS-HOTGVXAUSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739930
(2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738078
(2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457540
(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
(2R,3R)-N-cyclohexyl-3-(2-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739795
(5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
CID 95740004
3-(3-fluorophenyl)-N-(3-hydroxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689506
(2S,3S)-3-(3-fluorophenyl)-N-(3-hydroxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739961
(2S,3R)-N-butyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739924
N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689485
(2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 95739882

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide (CID 95739933) is (2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide is CN1C(=O)CO[C@H](C(=O)NC2CCCC2)[C@@H]1c1cccc(F)c1.
What is the InChIKey of (2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The InChIKey is CNXZZLQJJWEGRS-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-20-14(21)10-23-16(17(22)19-13-7-2-3-8-13)15(20)11-5-4-6-12(18)9-11/h4-6,9,13,15-16H,2-3,7-8,10H2,1H3,(H,19,22)/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
(2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 95739933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).