N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide

C15H22FN3O2 — CID 120562623

IUPACN-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide
SMILESCC(N)CCC(=O)NCCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C15H22FN3O2/c1-11(17)6-7-14(20)18-8-3-9-19-15(21)12-4-2-5-13(16)10-12/h2,4-5,10-11H,3,6-9,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyXLDNQEQAPLZOKR-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.19
Rot. Bonds8

About N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide

N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide (PubChem CID 120562623) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide
PubChem CID120562623
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide
SMILESCC(N)CCC(=O)NCCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C15H22FN3O2/c1-11(17)6-7-14(20)18-8-3-9-19-15(21)12-4-2-5-13(16)10-12/h2,4-5,10-11H,3,6-9,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyXLDNQEQAPLZOKR-UHFFFAOYSA-N
XLogP1.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
CID 107299544
5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide
CID 82849123
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]-3-fluorobenzamide;hydrochloride
CID 119323433
3-fluoro-N-octadecylbenzamide
CID 91711883
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide
CID 168911378
N-(4-aminopentyl)-3-(trifluoromethyl)benzamide
CID 106122605
N-(3-amino-4-methoxybutyl)-3-fluorobenzamide
CID 106243471
4-amino-N-(3-anilinopropyl)pentanamide
CID 120565112
3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 78785991
N-(3-amino-3-phenylpropyl)-3-fluorobenzamide
CID 80506781

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide?
The IUPAC name of N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide (CID 120562623) is N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide.
What is the SMILES notation for N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide?
The canonical SMILES for N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide is CC(N)CCC(=O)NCCCNC(=O)c1cccc(F)c1.
What is the InChIKey of N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide?
The InChIKey is XLDNQEQAPLZOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-11(17)6-7-14(20)18-8-3-9-19-15(21)12-4-2-5-13(16)10-12/h2,4-5,10-11H,3,6-9,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide?
N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide has a molecular weight of 295.36 g/mol, XLogP of 1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide is sourced from PubChem (CID 120562623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).