4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide

C13H20FN3O2 — CID 62844638

IUPAC4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
SMILESCOCCN(C)CCNC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H20FN3O2/c1-17(7-8-19-2)6-5-16-13(18)10-3-4-12(15)11(14)9-10/h3-4,9H,5-8,15H2,1-2H3,(H,16,18)
InChIKeyKDKUUTWVFKNCEZ-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.72
Rot. Bonds7

About 4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide

4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide (PubChem CID 62844638) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
PubChem CID62844638
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
SMILESCOCCN(C)CCNC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H20FN3O2/c1-17(7-8-19-2)6-5-16-13(18)10-3-4-12(15)11(14)9-10/h3-4,9H,5-8,15H2,1-2H3,(H,16,18)
InChIKeyKDKUUTWVFKNCEZ-UHFFFAOYSA-N
XLogP0.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.72
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-amino-3-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 104782871
3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 55126476
3-amino-4-(dimethylamino)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62842877
3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride
CID 119871098
3-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62849743
methyl 3-[(4-amino-3-fluorobenzoyl)amino]propanoate
CID 55103215
4-hydrazinyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide
CID 63212418
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid
CID 62850824
3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62845335
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 62681504
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 82844183
4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide
CID 63358675

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide?
The IUPAC name of 4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide (CID 62844638) is 4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide is COCCN(C)CCNC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide?
The InChIKey is KDKUUTWVFKNCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-17(7-8-19-2)6-5-16-13(18)10-3-4-12(15)11(14)9-10/h3-4,9H,5-8,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide?
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide has a molecular weight of 269.32 g/mol, XLogP of 0.72, 7 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-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide is sourced from PubChem (CID 62844638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).