3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide

C17H23FN2O3 — CID 111538436

IUPAC3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide
SMILESO=C(CC1(O)CCCC1)NCCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C17H23FN2O3/c18-14-6-3-5-13(11-14)16(22)20-10-4-9-19-15(21)12-17(23)7-1-2-8-17/h3,5-6,11,23H,1-2,4,7-10,12H2,(H,19,21)(H,20,22)
InChIKeyIAKVAYOIILVIOM-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.76
Rot. Bonds7

About 3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide

3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide (PubChem CID 111538436) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide
PubChem CID111538436
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide
SMILESO=C(CC1(O)CCCC1)NCCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C17H23FN2O3/c18-14-6-3-5-13(11-14)16(22)20-10-4-9-19-15(21)12-17(23)7-1-2-8-17/h3,5-6,11,23H,1-2,4,7-10,12H2,(H,19,21)(H,20,22)
InChIKeyIAKVAYOIILVIOM-UHFFFAOYSA-N
XLogP1.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.76
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
N-(3-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430420
N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide
CID 120562623
3-fluoro-N-octadecylbenzamide
CID 91711883
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
N-[2-(3,5-difluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430826
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
(1S,5S)-N-[3-[(3-fluorobenzoyl)amino]propyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 98203726
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108574697
3-fluoro-N-[3-[(2-thiomorpholin-3-ylacetyl)amino]propyl]benzamide
CID 119939089
N-[3-[(N,N'-dimethylcarbamimidoyl)amino]propyl]-3-fluorobenzamide;hydroiodide
CID 111117528

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide (CID 111538436) is 3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide is O=C(CC1(O)CCCC1)NCCCNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide?
The InChIKey is IAKVAYOIILVIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c18-14-6-3-5-13(11-14)16(22)20-10-4-9-19-15(21)12-17(23)7-1-2-8-17/h3,5-6,11,23H,1-2,4,7-10,12H2,(H,19,21)(H,20,22).
What are the key properties of 3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide?
3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide has a molecular weight of 322.38 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide is sourced from PubChem (CID 111538436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).