(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-6-yl)cyclopent-2-ene-1-carboxamide

C21H20FN3O2 — CID 78426345

IUPAC(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-6-yl)cyclopent-2-ene-1-carboxamide
SMILESCc1c(F)cccc1[C@@]1(C(=O)NO)C=C(c2ccc3cnn(C)c3c2)CC1
InChIInChI=1S/C21H20FN3O2/c1-13-17(4-3-5-18(13)22)21(20(26)24-27)9-8-15(11-21)14-6-7-16-12-23-25(2)19(16)10-14/h3-7,10-12,27H,8-9H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyZDSIXTBAUGAZCR-NRFANRHFSA-N
MW365.41 g/mol
LogP3.64
Rot. Bonds3

About (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-6-yl)cyclopent-2-ene-1-carboxamide

(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-6-yl)cyclopent-2-ene-1-carboxamide (PubChem CID 78426345) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-6-yl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-6-yl)cyclopent-2-ene-1-carboxamide
PubChem CID78426345
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-6-yl)cyclopent-2-ene-1-carboxamide
SMILESCc1c(F)cccc1[C@@]1(C(=O)NO)C=C(c2ccc3cnn(C)c3c2)CC1
InChIInChI=1S/C21H20FN3O2/c1-13-17(4-3-5-18(13)22)21(20(26)24-27)9-8-15(11-21)14-6-7-16-12-23-25(2)19(16)10-14/h3-7,10-12,27H,8-9H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyZDSIXTBAUGAZCR-NRFANRHFSA-N
XLogP3.64
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.64
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

N-hydroxy-7-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]heptanamide
CID 72195459
N-hydroxy-6-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]hexanamide
CID 72195460
N-hydroxy-5-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide
CID 118714377
N-hydroxy-5-[1-(naphthalen-2-ylmethyl)pyrazol-3-yl]pentanamide
CID 118714382
6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
CID 155555991
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[4-(trifluoromethyl)phenyl]indazole-4-carboxamide
CID 155560875
N-hydroxy-9-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]nonanamide
CID 72195326
N-hydroxy-8-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]octanamide
CID 72195458
5-(1-(4-(tert-Butyl)benzyl)-1H-pyrazol-3-yl)-nhydroxypentanamide
CID 118714372
US9783488, Example 83
CID 86272265
US9783488, Example 86
CID 86272268
US9783488, Example 50
CID 86274414

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-6-yl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-6-yl)cyclopent-2-ene-1-carboxamide (CID 78426345) is (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-6-yl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-6-yl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-6-yl)cyclopent-2-ene-1-carboxamide is Cc1c(F)cccc1[C@@]1(C(=O)NO)C=C(c2ccc3cnn(C)c3c2)CC1.
What is the InChIKey of (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-6-yl)cyclopent-2-ene-1-carboxamide?
The InChIKey is ZDSIXTBAUGAZCR-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-13-17(4-3-5-18(13)22)21(20(26)24-27)9-8-15(11-21)14-6-7-16-12-23-25(2)19(16)10-14/h3-7,10-12,27H,8-9H2,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-6-yl)cyclopent-2-ene-1-carboxamide?
(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-6-yl)cyclopent-2-ene-1-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-6-yl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 78426345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).