4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide

C14H16F2N2O3 — CID 83101244

IUPAC4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1c(F)cc(C=O)cc1F
InChIInChI=1S/C14H16F2N2O3/c1-2-17-14(20)12-8-21-4-3-18(12)13-10(15)5-9(7-19)6-11(13)16/h5-7,12H,2-4,8H2,1H3,(H,17,20)
InChIKeyXGNJDYWZBNWIBI-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.12
Rot. Bonds4

About 4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide

4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 83101244) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide
PubChem CID83101244
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1c(F)cc(C=O)cc1F
InChIInChI=1S/C14H16F2N2O3/c1-2-17-14(20)12-8-21-4-3-18(12)13-10(15)5-9(7-19)6-11(13)16/h5-7,12H,2-4,8H2,1H3,(H,17,20)
InChIKeyXGNJDYWZBNWIBI-UHFFFAOYSA-N
XLogP1.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide
CID 103590656
N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 83102955
4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817135
4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 83106693
N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83103963
3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid
CID 115935490
4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817134
4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide
CID 83103546
4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 107934083
4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide
CID 107108513
4-(3-amino-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83099381
5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid
CID 83100843

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide (CID 83101244) is 4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1c1c(F)cc(C=O)cc1F.
What is the InChIKey of 4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is XGNJDYWZBNWIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-2-17-14(20)12-8-21-4-3-18(12)13-10(15)5-9(7-19)6-11(13)16/h5-7,12H,2-4,8H2,1H3,(H,17,20).
What are the key properties of 4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide?
4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 298.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83101244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).