2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide

C15H20ClFN2O3 — CID 111912534

IUPAC2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide
SMILESCN(CC(O)CN1CCOCC1)C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H20ClFN2O3/c1-18(9-12(20)10-19-4-6-22-7-5-19)15(21)13-3-2-11(17)8-14(13)16/h2-3,8,12,20H,4-7,9-10H2,1H3
InChIKeyBTIFLGBDKZFXFI-UHFFFAOYSA-N
MW330.79 g/mol
LogP1.24
Rot. Bonds5

About 2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide

2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide (PubChem CID 111912534) has the molecular formula C15H20ClFN2O3 and a molecular weight of 330.79 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide
PubChem CID111912534
Molecular FormulaC15H20ClFN2O3
Molecular Weight330.79 g/mol
Exact Mass330.11
IUPAC Name2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide
SMILESCN(CC(O)CN1CCOCC1)C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H20ClFN2O3/c1-18(9-12(20)10-19-4-6-22-7-5-19)15(21)13-3-2-11(17)8-14(13)16/h2-3,8,12,20H,4-7,9-10H2,1H3
InChIKeyBTIFLGBDKZFXFI-UHFFFAOYSA-N
XLogP1.24
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide (CID 111912534) is 2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide is CN(CC(O)CN1CCOCC1)C(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide?
The InChIKey is BTIFLGBDKZFXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O3/c1-18(9-12(20)10-19-4-6-22-7-5-19)15(21)13-3-2-11(17)8-14(13)16/h2-3,8,12,20H,4-7,9-10H2,1H3.
What are the key properties of 2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide?
2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide has a molecular weight of 330.79 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide is sourced from PubChem (CID 111912534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).