cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide

C19H20FNO3 — CID 86272519

IUPACcis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)CC[C@H](Oc2ccccc2)C1
InChIInChI=1S/C19H20FNO3/c1-13-16(8-5-9-17(13)20)19(18(22)21-23)11-10-15(12-19)24-14-6-3-2-4-7-14/h2-9,15,23H,10-12H2,1H3,(H,21,22)/t15-,19-/m0/s1
InChIKeyWVKUWJVGASWANR-KXBFYZLASA-N
MW329.37 g/mol
LogP3.51
Rot. Bonds4

About cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide

cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide (PubChem CID 86272519) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide
PubChem CID86272519
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Namecis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)CC[C@H](Oc2ccccc2)C1
InChIInChI=1S/C19H20FNO3/c1-13-16(8-5-9-17(13)20)19(18(22)21-23)11-10-15(12-19)24-14-6-3-2-4-7-14/h2-9,15,23H,10-12H2,1H3,(H,21,22)/t15-,19-/m0/s1
InChIKeyWVKUWJVGASWANR-KXBFYZLASA-N
XLogP3.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.51
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)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide
CID 86272517
trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 86272515
1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-pyridin-3-ylcyclopentane-1-carboxamide
CID 86273207
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide
CID 86273456
(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
(1R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenylcyclopent-2-ene-1-carboxamide
CID 86302815
(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide
CID 118569847
methyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate
CID 79649233
(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559976

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide (CID 86272519) is cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide is Cc1c(F)cccc1[C@]1(C(=O)NO)CC[C@H](Oc2ccccc2)C1.
What is the InChIKey of cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide?
The InChIKey is WVKUWJVGASWANR-KXBFYZLASA-N. The full InChI is InChI=1S/C19H20FNO3/c1-13-16(8-5-9-17(13)20)19(18(22)21-23)11-10-15(12-19)24-14-6-3-2-4-7-14/h2-9,15,23H,10-12H2,1H3,(H,21,22)/t15-,19-/m0/s1.
What are the key properties of cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide?
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide has a molecular weight of 329.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide is sourced from PubChem (CID 86272519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).