2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide

C13H18FN3O2 — CID 55138823

IUPAC2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESNc1cc(F)ccc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C13H18FN3O2/c14-10-1-2-11(12(15)9-10)13(18)16-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8,15H2,(H,16,18)
InChIKeyXPUQJLDQULIKGE-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.47
Rot. Bonds4

About 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide

2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 55138823) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID55138823
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESNc1cc(F)ccc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C13H18FN3O2/c14-10-1-2-11(12(15)9-10)13(18)16-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8,15H2,(H,16,18)
InChIKeyXPUQJLDQULIKGE-UHFFFAOYSA-N
XLogP0.47
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.47
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

5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43510748
2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide
CID 61092801
4-fluoro-2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 118913406
2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168459
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
2-amino-N-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide
CID 21428879
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide
CID 113212878
2-amino-4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;hydrate;hydrochloride
CID 21428955
4-fluoro-N-(3-morpholin-4-ylpropyl)-2-nitrobenzamide
CID 21240823
6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide
CID 162651076
2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide
CID 83120721

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide (CID 55138823) is 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide is Nc1cc(F)ccc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is XPUQJLDQULIKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c14-10-1-2-11(12(15)9-10)13(18)16-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8,15H2,(H,16,18).
What are the key properties of 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 267.30 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 55138823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).