4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide

C14H15F2N3O2 — CID 107934083

IUPAC4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1ccc(C#N)c(F)c1F
InChIInChI=1S/C14H15F2N3O2/c1-2-18-14(20)11-8-21-6-5-19(11)10-4-3-9(7-17)12(15)13(10)16/h3-4,11H,2,5-6,8H2,1H3,(H,18,20)
InChIKeyYTPNOCAAFZUKPR-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.18
Rot. Bonds3

About 4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide

4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 107934083) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide
PubChem CID107934083
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1ccc(C#N)c(F)c1F
InChIInChI=1S/C14H15F2N3O2/c1-2-18-14(20)11-8-21-6-5-19(11)10-4-3-9(7-17)12(15)13(10)16/h3-4,11H,2,5-6,8H2,1H3,(H,18,20)
InChIKeyYTPNOCAAFZUKPR-UHFFFAOYSA-N
XLogP1.18
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide
CID 83098897
4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 104717013
N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83103963
4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83097290
4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817135
N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 83102955
4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817134
4-(5-bromo-2-cyanophenyl)-N-propylmorpholine-3-carboxamide
CID 114902124
4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 83106693
4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide
CID 83103969
4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide
CID 104717015
4-[4-(aminomethyl)-2-chlorophenyl]-N-ethylmorpholine-3-carboxamide
CID 83106357

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide (CID 107934083) is 4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1c1ccc(C#N)c(F)c1F.
What is the InChIKey of 4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is YTPNOCAAFZUKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-2-18-14(20)11-8-21-6-5-19(11)10-4-3-9(7-17)12(15)13(10)16/h3-4,11H,2,5-6,8H2,1H3,(H,18,20).
What are the key properties of 4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide?
4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 107934083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).