(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]cyclopent-2-ene-1-carboxamide

C19H16F4N2O2 — CID 86303140

IUPAC(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]cyclopent-2-ene-1-carboxamide
SMILESCc1c(F)cccc1[C@@]1(C(=O)NO)C=C(c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C19H16F4N2O2/c1-11-14(3-2-4-15(11)20)18(17(26)25-27)8-7-12(9-18)13-5-6-16(24-10-13)19(21,22)23/h2-6,9-10,27H,7-8H2,1H3,(H,25,26)/t18-/m0/s1
InChIKeyHQDKBLZLYAJTGA-SFHVURJKSA-N
MW380.34 g/mol
LogP4.17
Rot. Bonds3

About (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]cyclopent-2-ene-1-carboxamide

(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]cyclopent-2-ene-1-carboxamide (PubChem CID 86303140) has the molecular formula C19H16F4N2O2 and a molecular weight of 380.34 g/mol. Its IUPAC name is (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]cyclopent-2-ene-1-carboxamide
PubChem CID86303140
Molecular FormulaC19H16F4N2O2
Molecular Weight380.34 g/mol
Exact Mass380.11
IUPAC Name(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]cyclopent-2-ene-1-carboxamide
SMILESCc1c(F)cccc1[C@@]1(C(=O)NO)C=C(c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C19H16F4N2O2/c1-11-14(3-2-4-15(11)20)18(17(26)25-27)8-7-12(9-18)13-5-6-16(24-10-13)19(21,22)23/h2-6,9-10,27H,7-8H2,1H3,(H,25,26)/t18-/m0/s1
InChIKeyHQDKBLZLYAJTGA-SFHVURJKSA-N
XLogP4.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 54.17
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 (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]cyclopent-2-ene-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

Disopyramide
CID 3114
Disopyramide Phosphate
CID 30928
Mono-N-dealkyldisopyramide
CID 107858
Vamicamide
CID 65967
Disopyramide, (R)-
CID 156294
Disopyramide, (S)-
CID 156295
(2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 42639933
2-Pyridineacetamide, alpha-(2-(dimethylamino)propyl)-alpha-phenyl-
CID 3025060
(E)-N-hydroxy-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 11507610
2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(3-o-tolylpyridin-4-yl)propanamide
CID 22000062
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 42640092
(1R,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 60148667

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]cyclopent-2-ene-1-carboxamide (CID 86303140) is (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]cyclopent-2-ene-1-carboxamide is Cc1c(F)cccc1[C@@]1(C(=O)NO)C=C(c2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is HQDKBLZLYAJTGA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16F4N2O2/c1-11-14(3-2-4-15(11)20)18(17(26)25-27)8-7-12(9-18)13-5-6-16(24-10-13)19(21,22)23/h2-6,9-10,27H,7-8H2,1H3,(H,25,26)/t18-/m0/s1.
What are the key properties of (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]cyclopent-2-ene-1-carboxamide?
(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 380.34 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 86303140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).