N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide

C14H19FN2O3 — CID 83102955

IUPACN-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1ccc(CO)cc1F
InChIInChI=1S/C14H19FN2O3/c1-2-16-14(19)13-9-20-6-5-17(13)12-4-3-10(8-18)7-11(12)15/h3-4,7,13,18H,2,5-6,8-9H2,1H3,(H,16,19)
InChIKeyFJUHDHUSTLXCMT-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.66
Rot. Bonds4

About N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide

N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide (PubChem CID 83102955) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
PubChem CID83102955
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC NameN-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1ccc(CO)cc1F
InChIInChI=1S/C14H19FN2O3/c1-2-16-14(19)13-9-20-6-5-17(13)12-4-3-10(8-18)7-11(12)15/h3-4,7,13,18H,2,5-6,8-9H2,1H3,(H,16,19)
InChIKeyFJUHDHUSTLXCMT-UHFFFAOYSA-N
XLogP0.66
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 83102210
4-[4-(aminomethyl)-2-chlorophenyl]-N-ethylmorpholine-3-carboxamide
CID 83106357
4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide
CID 83103969
4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide
CID 83107194
N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83103963
4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 83106693
4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide
CID 103590656
4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83098530
4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 107934083
4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide
CID 83101244
4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817135
4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide
CID 83098897

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide (CID 83102955) is N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide is CCNC(=O)C1COCCN1c1ccc(CO)cc1F.
What is the InChIKey of N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is FJUHDHUSTLXCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-2-16-14(19)13-9-20-6-5-17(13)12-4-3-10(8-18)7-11(12)15/h3-4,7,13,18H,2,5-6,8-9H2,1H3,(H,16,19).
What are the key properties of N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide?
N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 83102955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).