N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)morpholine-4-carboxamide

C16H22ClFN2O3 — CID 71861151

IUPACN-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)morpholine-4-carboxamide
SMILESCC(C)(CNC(=O)N1CCOC(CO)C1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H22ClFN2O3/c1-16(2,13-4-3-11(18)7-14(13)17)10-19-15(22)20-5-6-23-12(8-20)9-21/h3-4,7,12,21H,5-6,8-10H2,1-2H3,(H,19,22)
InChIKeyHZNIDZALOYWSFM-UHFFFAOYSA-N
MW344.81 g/mol
LogP2.16
Rot. Bonds4

About N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)morpholine-4-carboxamide

N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)morpholine-4-carboxamide (PubChem CID 71861151) has the molecular formula C16H22ClFN2O3 and a molecular weight of 344.81 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)morpholine-4-carboxamide
PubChem CID71861151
Molecular FormulaC16H22ClFN2O3
Molecular Weight344.81 g/mol
Exact Mass344.13
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)morpholine-4-carboxamide
SMILESCC(C)(CNC(=O)N1CCOC(CO)C1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H22ClFN2O3/c1-16(2,13-4-3-11(18)7-14(13)17)10-19-15(22)20-5-6-23-12(8-20)9-21/h3-4,7,12,21H,5-6,8-10H2,1-2H3,(H,19,22)
InChIKeyHZNIDZALOYWSFM-UHFFFAOYSA-N
XLogP2.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)morpholine-4-carboxamide (CID 71861151) is N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)morpholine-4-carboxamide is CC(C)(CNC(=O)N1CCOC(CO)C1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
The InChIKey is HZNIDZALOYWSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O3/c1-16(2,13-4-3-11(18)7-14(13)17)10-19-15(22)20-5-6-23-12(8-20)9-21/h3-4,7,12,21H,5-6,8-10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)morpholine-4-carboxamide has a molecular weight of 344.81 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 71861151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).