(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide

C21H22FN3O2 — CID 118870476

IUPAC(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)CCC(c2ccc3c(cnn3C)c2)C1
InChIInChI=1S/C21H22FN3O2/c1-13-17(4-3-5-18(13)22)21(20(26)24-27)9-8-15(11-21)14-6-7-19-16(10-14)12-23-25(19)2/h3-7,10,12,15,27H,8-9,11H2,1-2H3,(H,24,26)/t15?,21-/m0/s1
InChIKeyJEKQOVILUATGAE-FXMQYSIJSA-N
MW367.42 g/mol
LogP3.73
Rot. Bonds3

About (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide

(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide (PubChem CID 118870476) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide
PubChem CID118870476
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)CCC(c2ccc3c(cnn3C)c2)C1
InChIInChI=1S/C21H22FN3O2/c1-13-17(4-3-5-18(13)22)21(20(26)24-27)9-8-15(11-21)14-6-7-19-16(10-14)12-23-25(19)2/h3-7,10,12,15,27H,8-9,11H2,1-2H3,(H,24,26)/t15?,21-/m0/s1
InChIKeyJEKQOVILUATGAE-FXMQYSIJSA-N
XLogP3.73
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.73
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-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide
CID 59251049
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2,2-dimethylpropanamide
CID 59251075
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide
CID 59251088
N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45267515
N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylpentanamide
CID 45270102
N-[[1-(2-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45270940
N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45270944
N-[[1-(3-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45272656
N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2,2-dimethylpentanamide
CID 45273570
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]acetamide
CID 73346217
3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]propanamide
CID 73356866
US10106535, Example 38
CID 78426345

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide?
The IUPAC name of (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide (CID 118870476) is (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide?
The canonical SMILES for (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide is Cc1c(F)cccc1[C@]1(C(=O)NO)CCC(c2ccc3c(cnn3C)c2)C1.
What is the InChIKey of (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide?
The InChIKey is JEKQOVILUATGAE-FXMQYSIJSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-13-17(4-3-5-18(13)22)21(20(26)24-27)9-8-15(11-21)14-6-7-19-16(10-14)12-23-25(19)2/h3-7,10,12,15,27H,8-9,11H2,1-2H3,(H,24,26)/t15?,21-/m0/s1.
What are the key properties of (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide?
(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.73, 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-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 118870476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).