(2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide

C16H20ClFN2O3 — CID 97109067

IUPAC(2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCO[C@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C16H20ClFN2O3/c1-20-5-7-22-14(9-20)16(21)19-13-4-6-23-15(13)10-2-3-11(17)12(18)8-10/h2-3,8,13-15H,4-7,9H2,1H3,(H,19,21)/t13-,14+,15-/m1/s1
InChIKeyUGRHKBPVWYPQTK-QLFBSQMISA-N
MW342.80 g/mol
LogP1.76
Rot. Bonds3

About (2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide

(2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide (PubChem CID 97109067) has the molecular formula C16H20ClFN2O3 and a molecular weight of 342.80 g/mol. Its IUPAC name is (2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide
PubChem CID97109067
Molecular FormulaC16H20ClFN2O3
Molecular Weight342.80 g/mol
Exact Mass342.11
IUPAC Name(2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCO[C@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C16H20ClFN2O3/c1-20-5-7-22-14(9-20)16(21)19-13-4-6-23-15(13)10-2-3-11(17)12(18)8-10/h2-3,8,13-15H,4-7,9H2,1H3,(H,19,21)/t13-,14+,15-/m1/s1
InChIKeyUGRHKBPVWYPQTK-QLFBSQMISA-N
XLogP1.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[(2S,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]amino]-3-oxopropanoate
CID 139021689
(2R)-N-[(3S)-1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide
CID 124776756
3-[[(2S,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]amino]-1-ethylpyrrolidin-2-one
CID 154844054
N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 84595648
3-[2-[[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120552150
N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 97109066
N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide
CID 97109107
N-[(6R,7S)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]acetamide
CID 66976115
3-[[[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]amino]methyl]benzoic acid
CID 122032419
(2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide
CID 124732140
4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995
2-[[(2S,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]amino]-N-(prop-2-enylcarbamoyl)propanamide
CID 139022122

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide (CID 97109067) is (2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide is CN1CCO[C@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)C1.
What is the InChIKey of (2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide?
The InChIKey is UGRHKBPVWYPQTK-QLFBSQMISA-N. The full InChI is InChI=1S/C16H20ClFN2O3/c1-20-5-7-22-14(9-20)16(21)19-13-4-6-23-15(13)10-2-3-11(17)12(18)8-10/h2-3,8,13-15H,4-7,9H2,1H3,(H,19,21)/t13-,14+,15-/m1/s1.
What are the key properties of (2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide?
(2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide has a molecular weight of 342.80 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 97109067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).