(2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide

C14H18F2N2O3 — CID 97278282

IUPAC(2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
SMILESCOCC[C@H]1CN(C(=O)Nc2cccc(F)c2F)CCO1
InChIInChI=1S/C14H18F2N2O3/c1-20-7-5-10-9-18(6-8-21-10)14(19)17-12-4-2-3-11(15)13(12)16/h2-4,10H,5-9H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyRNNHWMMCVZORMC-JTQLQIEISA-N
MW300.30 g/mol
LogP2.23
Rot. Bonds4

About (2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide

(2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide (PubChem CID 97278282) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.30 g/mol. Its IUPAC name is (2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
PubChem CID97278282
Molecular FormulaC14H18F2N2O3
Molecular Weight300.30 g/mol
Exact Mass300.13
IUPAC Name(2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
SMILESCOCC[C@H]1CN(C(=O)Nc2cccc(F)c2F)CCO1
InChIInChI=1S/C14H18F2N2O3/c1-20-7-5-10-9-18(6-8-21-10)14(19)17-12-4-2-3-11(15)13(12)16/h2-4,10H,5-9H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyRNNHWMMCVZORMC-JTQLQIEISA-N
XLogP2.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97278281
N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79831251
2-(2-methoxyethyl)-N-[4-(4-methylphenyl)phenyl]morpholine-4-carboxamide
CID 118784925
(2S)-N-[3-(3-chlorophenyl)phenyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97437523
2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide
CID 74240763
2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61203216
N-(2-fluoro-3-methylphenyl)morpholine-4-carboxamide
CID 166178432
N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 118769323
(2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide
CID 95276927
2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597623
1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 97285718
2-(2,5-dimethylphenyl)-1-[2-(2-methoxyethyl)morpholin-4-yl]ethanone
CID 91769226

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide (CID 97278282) is (2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide is COCC[C@H]1CN(C(=O)Nc2cccc(F)c2F)CCO1.
What is the InChIKey of (2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide?
The InChIKey is RNNHWMMCVZORMC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-20-7-5-10-9-18(6-8-21-10)14(19)17-12-4-2-3-11(15)13(12)16/h2-4,10H,5-9H2,1H3,(H,17,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide?
(2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide has a molecular weight of 300.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide is sourced from PubChem (CID 97278282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).