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

C13H18FN3O2 — CID 43510748

IUPAC5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESNc1ccc(F)c(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C13H18FN3O2/c14-12-2-1-10(15)9-11(12)13(18)16-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8,15H2,(H,16,18)
InChIKeyPQFRVOQPXYWSCC-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.47
Rot. Bonds4

About 5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide

5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 43510748) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID43510748
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESNc1ccc(F)c(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C13H18FN3O2/c14-12-2-1-10(15)9-11(12)13(18)16-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8,15H2,(H,16,18)
InChIKeyPQFRVOQPXYWSCC-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

2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 55138823
5-(diethylsulfamoyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 20967213
2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide
CID 61092801
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248
5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 4564323
3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 103706316
4-amino-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 62156261
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573
4-fluoro-2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 118913406
5-amino-N-methyl-2-(2-morpholin-4-ylethylamino)benzamide
CID 100655710
2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168459
5-amino-2-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62634342

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide (CID 43510748) is 5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide is Nc1ccc(F)c(C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of 5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is PQFRVOQPXYWSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c14-12-2-1-10(15)9-11(12)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 5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
5-amino-2-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 5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 43510748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).