3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide

C14H19FN2O3 — CID 107299544

IUPAC3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
SMILESCC(O)CCCNC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O3/c1-10(18)4-3-7-16-13(19)9-17-14(20)11-5-2-6-12(15)8-11/h2,5-6,8,10,18H,3-4,7,9H2,1H3,(H,16,19)(H,17,20)
InChIKeyZDHUNNUDFSIFLU-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.83
Rot. Bonds7

About 3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide

3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide (PubChem CID 107299544) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
PubChem CID107299544
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
SMILESCC(O)CCCNC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O3/c1-10(18)4-3-7-16-13(19)9-17-14(20)11-5-2-6-12(15)8-11/h2,5-6,8,10,18H,3-4,7,9H2,1H3,(H,16,19)(H,17,20)
InChIKeyZDHUNNUDFSIFLU-UHFFFAOYSA-N
XLogP0.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.83
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

N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 78785991
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide
CID 107300460
N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide
CID 120562623
4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
CID 106134450
3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 78878509
3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide
CID 78802467
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
methyl 3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]butanoate
CID 78825239
3-fluoro-N-octadecylbenzamide
CID 91711883
3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide (CID 107299544) is 3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide is CC(O)CCCNC(=O)CNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide?
The InChIKey is ZDHUNNUDFSIFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-10(18)4-3-7-16-13(19)9-17-14(20)11-5-2-6-12(15)8-11/h2,5-6,8,10,18H,3-4,7,9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide?
3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide has a molecular weight of 282.31 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 107299544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).