4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide

C21H29F5N2O5 — CID 99731766

IUPAC4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C[C@H]1CN(C[C@@H](O)COCC(F)(F)C(F)F)CCO1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H29F5N2O5/c1-31-8-7-28(19(30)15-2-4-16(22)5-3-15)12-18-11-27(6-9-33-18)10-17(29)13-32-14-21(25,26)20(23)24/h2-5,17-18,20,29H,6-14H2,1H3/t17-,18-/m1/s1
InChIKeyHJFSZPKKNPVJOQ-QZTJIDSGSA-N
MW484.46 g/mol
LogP1.89
Rot. Bonds13

About 4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide

4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide (PubChem CID 99731766) has the molecular formula C21H29F5N2O5 and a molecular weight of 484.46 g/mol. Its IUPAC name is 4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
PubChem CID99731766
Molecular FormulaC21H29F5N2O5
Molecular Weight484.46 g/mol
Exact Mass484.20
IUPAC Name4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C[C@H]1CN(C[C@@H](O)COCC(F)(F)C(F)F)CCO1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H29F5N2O5/c1-31-8-7-28(19(30)15-2-4-16(22)5-3-15)12-18-11-27(6-9-33-18)10-17(29)13-32-14-21(25,26)20(23)24/h2-5,17-18,20,29H,6-14H2,1H3/t17-,18-/m1/s1
InChIKeyHJFSZPKKNPVJOQ-QZTJIDSGSA-N
XLogP1.89
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide with MolForge

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Related Compounds

N-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 46060170
N-[[(2S)-4-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92989538
N-[[(2S)-4-[(2S)-2-hydroxy-3-methoxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984293
N-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42862186
N-[[(2S)-4-[(2R)-2-hydroxybutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 92989417
N-[[4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 46060172
N-[[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46041392
N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984292
N-[[(2S)-4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984291
4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92984239
N-[[(2S)-4-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984280
N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 99731711

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide (CID 99731766) is 4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide is COCCN(C[C@H]1CN(C[C@@H](O)COCC(F)(F)C(F)F)CCO1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is HJFSZPKKNPVJOQ-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H29F5N2O5/c1-31-8-7-28(19(30)15-2-4-16(22)5-3-15)12-18-11-27(6-9-33-18)10-17(29)13-32-14-21(25,26)20(23)24/h2-5,17-18,20,29H,6-14H2,1H3/t17-,18-/m1/s1.
What are the key properties of 4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide?
4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 484.46 g/mol, XLogP of 1.89, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 99731766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).