3-fluoro-N-[3-(methylamino)propyl]benzamide

C11H15FN2O — CID 43600651

IUPAC3-fluoro-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C11H15FN2O/c1-13-6-3-7-14-11(15)9-4-2-5-10(12)8-9/h2,4-5,8,13H,3,6-7H2,1H3,(H,14,15)
InChIKeyICRCEQGKMVCXQU-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.16
Rot. Bonds5

About 3-fluoro-N-[3-(methylamino)propyl]benzamide

3-fluoro-N-[3-(methylamino)propyl]benzamide (PubChem CID 43600651) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-fluoro-N-[3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(methylamino)propyl]benzamide
PubChem CID43600651
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-fluoro-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C11H15FN2O/c1-13-6-3-7-14-11(15)9-4-2-5-10(12)8-9/h2,4-5,8,13H,3,6-7H2,1H3,(H,14,15)
InChIKeyICRCEQGKMVCXQU-UHFFFAOYSA-N
XLogP1.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-N-[3-(methylamino)propyl]benzamide
CID 43600831
3-fluoro-N-octadecylbenzamide
CID 91711883
N-[3-[(N,N'-dimethylcarbamimidoyl)amino]propyl]-3-fluorobenzamide;hydroiodide
CID 111117528
N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide
CID 120562623
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide
CID 111538436
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide
CID 133339227
N-(4-azidobutyl)-3-fluorobenzamide
CID 106386699
N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide
CID 39371536
N-[3-[(3-fluorobenzoyl)amino]propyl]-3-methylpyrrolidine-1-carboxamide
CID 86937809

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(methylamino)propyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-(methylamino)propyl]benzamide (CID 43600651) is 3-fluoro-N-[3-(methylamino)propyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-(methylamino)propyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-(methylamino)propyl]benzamide is CNCCCNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[3-(methylamino)propyl]benzamide?
The InChIKey is ICRCEQGKMVCXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-13-6-3-7-14-11(15)9-4-2-5-10(12)8-9/h2,4-5,8,13H,3,6-7H2,1H3,(H,14,15).
What are the key properties of 3-fluoro-N-[3-(methylamino)propyl]benzamide?
3-fluoro-N-[3-(methylamino)propyl]benzamide has a molecular weight of 210.25 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(methylamino)propyl]benzamide is sourced from PubChem (CID 43600651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).