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

C18H18F2N2O2 — CID 86273456

IUPACcis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)CC[C@H](c2cncc(F)c2)C1
InChIInChI=1S/C18H18F2N2O2/c1-11-15(3-2-4-16(11)20)18(17(23)22-24)6-5-12(8-18)13-7-14(19)10-21-9-13/h2-4,7,9-10,12,24H,5-6,8H2,1H3,(H,22,23)/t12-,18-/m0/s1
InChIKeyHZPQUCRMKHUJSP-SGTLLEGYSA-N
MW332.35 g/mol
LogP3.38
Rot. Bonds3

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

cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide (PubChem CID 86273456) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide
PubChem CID86273456
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Namecis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)CC[C@H](c2cncc(F)c2)C1
InChIInChI=1S/C18H18F2N2O2/c1-11-15(3-2-4-16(11)20)18(17(23)22-24)6-5-12(8-18)13-7-14(19)10-21-9-13/h2-4,7,9-10,12,24H,5-6,8H2,1H3,(H,22,23)/t12-,18-/m0/s1
InChIKeyHZPQUCRMKHUJSP-SGTLLEGYSA-N
XLogP3.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.38
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'}

Analyze cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,3R)-N-hydroxy-2-phenyl-3-[6-(trifluoromethyl)pyridin-3-yl]cyclopropane-1-carboxamide
CID 60148671
(1R,2R,3R)-N-hydroxy-2-phenyl-3-[2-(trifluoromethyl)pyridin-4-yl]cyclopropane-1-carboxamide
CID 60148672
(1R,2R,3R)-N-hydroxy-2-phenyl-3-[5-(trifluoromethyl)pyridin-3-yl]cyclopropane-1-carboxamide
CID 60148809
2-(2-fluorophenyl)-N-hydroxy-2-(4-pyridin-4-ylphenyl)acetamide
CID 155523278
4-[(E)-2-[5-(2-fluoro-4-methylphenyl)-3-pyridinyl]ethenyl]-N-hydroxybenzamide
CID 166636408
(1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-3-(2-fluorophenyl)-N-hydroxycyclopropane-1-carboxamide
CID 60148668
(1R,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-3-(4-fluorophenyl)-N-hydroxycyclopropane-1-carboxamide
CID 60148669
11Ss-fluoro-17-(5-fluoropyridin-3-yl)oestra-1,3,5(10),16-tetraene-3-carboxamide
CID 78323824
US9783488, Example 84
CID 86272266
US9783488, Example 85
CID 86272267
US9783488, Example 99
CID 86272518
US9783488, Example 1
CID 86273207

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide (CID 86273456) is cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide is Cc1c(F)cccc1[C@]1(C(=O)NO)CC[C@H](c2cncc(F)c2)C1.
What is the InChIKey of cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide?
The InChIKey is HZPQUCRMKHUJSP-SGTLLEGYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-11-15(3-2-4-16(11)20)18(17(23)22-24)6-5-12(8-18)13-7-14(19)10-21-9-13/h2-4,7,9-10,12,24H,5-6,8H2,1H3,(H,22,23)/t12-,18-/m0/s1.
What are the key properties of cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide?
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 3.38, 3 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)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 86273456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).