2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide

C11H14FN3O2 — CID 55099722

IUPAC2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCNC(=O)c1cccc(F)c1N
InChIInChI=1S/C11H14FN3O2/c1-14-9(16)5-6-15-11(17)7-3-2-4-8(12)10(7)13/h2-4H,5-6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyPNLQRFCJOPRBOG-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.27
Rot. Bonds4

About 2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide

2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 55099722) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID55099722
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCNC(=O)c1cccc(F)c1N
InChIInChI=1S/C11H14FN3O2/c1-14-9(16)5-6-15-11(17)7-3-2-4-8(12)10(7)13/h2-4H,5-6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyPNLQRFCJOPRBOG-UHFFFAOYSA-N
XLogP0.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 63185530
2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 96696408
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide
CID 106276529
2-amino-3-fluoro-N-(2-pyrrol-1-ylethyl)benzamide
CID 114182709
2-amino-3-fluoro-N',N'-dimethylbenzohydrazide
CID 83021184
2-amino-3-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 55100204
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide
CID 55142391
2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103890327
5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 79881248
2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63962308
2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 106260904
2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 55099722) is 2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCNC(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is PNLQRFCJOPRBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-14-9(16)5-6-15-11(17)7-3-2-4-8(12)10(7)13/h2-4H,5-6,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide?
2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 239.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 55099722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).