cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide

C18H18F2N2O3 — CID 86272517

IUPACcis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)CC[C@H](Oc2cncc(F)c2)C1
InChIInChI=1S/C18H18F2N2O3/c1-11-15(3-2-4-16(11)20)18(17(23)22-24)6-5-13(8-18)25-14-7-12(19)9-21-10-14/h2-4,7,9-10,13,24H,5-6,8H2,1H3,(H,22,23)/t13-,18-/m0/s1
InChIKeyPPEPEULACZKSOF-UGSOOPFHSA-N
MW348.35 g/mol
LogP3.04
Rot. Bonds4

About cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide

cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide (PubChem CID 86272517) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide
PubChem CID86272517
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Namecis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)CC[C@H](Oc2cncc(F)c2)C1
InChIInChI=1S/C18H18F2N2O3/c1-11-15(3-2-4-16(11)20)18(17(23)22-24)6-5-13(8-18)25-14-7-12(19)9-21-10-14/h2-4,7,9-10,13,24H,5-6,8H2,1H3,(H,22,23)/t13-,18-/m0/s1
InChIKeyPPEPEULACZKSOF-UGSOOPFHSA-N
XLogP3.04
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide
CID 86272519
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide
CID 86273456
trans-methyl (1S,3R)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclopentane-1-carboxylate
CID 144726971
1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-pyridin-3-ylcyclopentane-1-carboxamide
CID 86273207
trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 86272515
(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide
CID 118870476
trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide
CID 86275379
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(3-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide;sulfane
CID 162000832
(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 118870540
5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
CID 129012803
cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide
CID 86274412
cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane
CID 158584645

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide (CID 86272517) is cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide is Cc1c(F)cccc1[C@]1(C(=O)NO)CC[C@H](Oc2cncc(F)c2)C1.
What is the InChIKey of cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide?
The InChIKey is PPEPEULACZKSOF-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-11-15(3-2-4-16(11)20)18(17(23)22-24)6-5-13(8-18)25-14-7-12(19)9-21-10-14/h2-4,7,9-10,13,24H,5-6,8H2,1H3,(H,22,23)/t13-,18-/m0/s1.
What are the key properties of cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide?
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 86272517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).