4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide

C14H20FN3O2 — CID 103590656

IUPAC4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1cc(C)c(F)cc1N
InChIInChI=1S/C14H20FN3O2/c1-3-17-14(19)13-8-20-5-4-18(13)12-6-9(2)10(15)7-11(12)16/h6-7,13H,3-5,8,16H2,1-2H3,(H,17,19)
InChIKeyNPIKMCUNGAFFRD-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.06
Rot. Bonds3

About 4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide

4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 103590656) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide
PubChem CID103590656
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1cc(C)c(F)cc1N
InChIInChI=1S/C14H20FN3O2/c1-3-17-14(19)13-8-20-5-4-18(13)12-6-9(2)10(15)7-11(12)16/h6-7,13H,3-5,8,16H2,1-2H3,(H,17,19)
InChIKeyNPIKMCUNGAFFRD-UHFFFAOYSA-N
XLogP1.06
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.06
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-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 83106693
N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 83102955
4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide
CID 83101244
N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83103963
4-[4-(aminomethyl)-2-chlorophenyl]-N-ethylmorpholine-3-carboxamide
CID 83106357
2-amino-4-fluoro-5-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83105182
4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 107934083
4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide
CID 83107194
4-(3-amino-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83099381
4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817135
3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid
CID 115935490
4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 104717013

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide (CID 103590656) is 4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1c1cc(C)c(F)cc1N.
What is the InChIKey of 4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is NPIKMCUNGAFFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-3-17-14(19)13-8-20-5-4-18(13)12-6-9(2)10(15)7-11(12)16/h6-7,13H,3-5,8,16H2,1-2H3,(H,17,19).
What are the key properties of 4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide?
4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 281.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 103590656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).