4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide

C14H16FN3O2 — CID 102817135

IUPAC4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1cc(F)cc(C#N)c1
InChIInChI=1S/C14H16FN3O2/c1-2-17-14(19)13-9-20-4-3-18(13)12-6-10(8-16)5-11(15)7-12/h5-7,13H,2-4,9H2,1H3,(H,17,19)
InChIKeyVMLSIHZKBVAYOG-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.04
Rot. Bonds3

About 4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide

4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 102817135) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide
PubChem CID102817135
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1cc(F)cc(C#N)c1
InChIInChI=1S/C14H16FN3O2/c1-2-17-14(19)13-9-20-4-3-18(13)12-6-10(8-16)5-11(15)7-12/h5-7,13H,2-4,9H2,1H3,(H,17,19)
InChIKeyVMLSIHZKBVAYOG-UHFFFAOYSA-N
XLogP1.04
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817134
4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83098273
4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 107934083
3-fluoro-5-(3-methylmorpholin-4-yl)benzonitrile
CID 102815380
N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83103963
4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide
CID 83101244
4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83097290
4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide
CID 103590656
N-ethyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535674
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-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 83102955

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide (CID 102817135) is 4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1c1cc(F)cc(C#N)c1.
What is the InChIKey of 4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is VMLSIHZKBVAYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-2-17-14(19)13-9-20-4-3-18(13)12-6-10(8-16)5-11(15)7-12/h5-7,13H,2-4,9H2,1H3,(H,17,19).
What are the key properties of 4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide?
4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 102817135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).