4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide

C13H18FN3O2 — CID 83106693

IUPAC4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1cccc(F)c1N
InChIInChI=1S/C13H18FN3O2/c1-2-16-13(18)11-8-19-7-6-17(11)10-5-3-4-9(14)12(10)15/h3-5,11H,2,6-8,15H2,1H3,(H,16,18)
InChIKeyYTTZQRPWFBYEGS-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.75
Rot. Bonds3

About 4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide

4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 83106693) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide
PubChem CID83106693
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1cccc(F)c1N
InChIInChI=1S/C13H18FN3O2/c1-2-16-13(18)11-8-19-7-6-17(11)10-5-3-4-9(14)12(10)15/h3-5,11H,2,6-8,15H2,1H3,(H,16,18)
InChIKeyYTTZQRPWFBYEGS-UHFFFAOYSA-N
XLogP0.75
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 104717013
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-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide
CID 104717015
3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid
CID 115935490
4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 107934083
N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83103963
2-amino-3-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83103635
4-[4-(aminomethyl)-2-chlorophenyl]-N-ethylmorpholine-3-carboxamide
CID 83106357
4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide
CID 83101244
4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817134
4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide
CID 107108513

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide (CID 83106693) is 4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1c1cccc(F)c1N.
What is the InChIKey of 4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is YTTZQRPWFBYEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-2-16-13(18)11-8-19-7-6-17(11)10-5-3-4-9(14)12(10)15/h3-5,11H,2,6-8,15H2,1H3,(H,16,18).
What are the key properties of 4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide?
4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83106693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).