4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide

C13H18FN3O2 — CID 79078520

IUPAC4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
SMILESCN1CCOC(CNC(=O)c2ccc(N)c(F)c2)C1
InChIInChI=1S/C13H18FN3O2/c1-17-4-5-19-10(8-17)7-16-13(18)9-2-3-12(15)11(14)6-9/h2-3,6,10H,4-5,7-8,15H2,1H3,(H,16,18)
InChIKeyYRUMQIQAKVKLKD-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.47
Rot. Bonds3

About 4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide

4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide (PubChem CID 79078520) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
PubChem CID79078520
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
SMILESCN1CCOC(CNC(=O)c2ccc(N)c(F)c2)C1
InChIInChI=1S/C13H18FN3O2/c1-17-4-5-19-10(8-17)7-16-13(18)9-2-3-12(15)11(14)6-9/h2-3,6,10H,4-5,7-8,15H2,1H3,(H,16,18)
InChIKeyYRUMQIQAKVKLKD-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
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

4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide
CID 107031927
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide
CID 55103122
4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62682426
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094765
3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709915
5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094449
3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79082923
2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-5-nitrobenzamide
CID 79078973
2-fluoro-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 80712225
2-chloro-6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094194

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The IUPAC name of 4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide (CID 79078520) is 4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide is CN1CCOC(CNC(=O)c2ccc(N)c(F)c2)C1.
What is the InChIKey of 4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The InChIKey is YRUMQIQAKVKLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-17-4-5-19-10(8-17)7-16-13(18)9-2-3-12(15)11(14)6-9/h2-3,6,10H,4-5,7-8,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide has a molecular weight of 267.30 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide is sourced from PubChem (CID 79078520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).