cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide

C17H17FN2O2 — CID 86274412

IUPACcis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide
SMILESO=C(NO)[C@@]1(c2ccccc2)CC[C@H](c2cncc(F)c2)C1
InChIInChI=1S/C17H17FN2O2/c18-15-8-13(10-19-11-15)12-6-7-17(9-12,16(21)20-22)14-4-2-1-3-5-14/h1-5,8,10-12,22H,6-7,9H2,(H,20,21)/t12-,17-/m0/s1
InChIKeyXUCNSDHIOWERNL-SJCJKPOMSA-N
MW300.33 g/mol
LogP2.93
Rot. Bonds3

About cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide

cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide (PubChem CID 86274412) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide
PubChem CID86274412
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Namecis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide
SMILESO=C(NO)[C@@]1(c2ccccc2)CC[C@H](c2cncc(F)c2)C1
InChIInChI=1S/C17H17FN2O2/c18-15-8-13(10-19-11-15)12-6-7-17(9-12,16(21)20-22)14-4-2-1-3-5-14/h1-5,8,10-12,22H,6-7,9H2,(H,20,21)/t12-,17-/m0/s1
InChIKeyXUCNSDHIOWERNL-SJCJKPOMSA-N
XLogP2.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane
CID 158584645
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide
CID 86273456
1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-pyridin-3-ylcyclopentane-1-carboxamide
CID 86273207
(5-fluoro-3-pyridinyl)-(1-phenylcyclopropyl)methanone
CID 63080715
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide
CID 86272517
N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134589086
(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide
CID 118870476
3-(5-fluoro-3-pyridinyl)cyclopentan-1-one
CID 64521906
3-(2,2-dibromocyclopropyl)-5-fluoropyridine
CID 126979804
4-fluoro-1-phenylcyclohexane-1-carboxylic acid
CID 83853907
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(3-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide;sulfane
CID 162000832
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide (CID 86274412) is cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide is O=C(NO)[C@@]1(c2ccccc2)CC[C@H](c2cncc(F)c2)C1.
What is the InChIKey of cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide?
The InChIKey is XUCNSDHIOWERNL-SJCJKPOMSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-15-8-13(10-19-11-15)12-6-7-17(9-12,16(21)20-22)14-4-2-1-3-5-14/h1-5,8,10-12,22H,6-7,9H2,(H,20,21)/t12-,17-/m0/s1.
What are the key properties of cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide?
cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide has a molecular weight of 300.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 86274412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).