1-fluoro-2-methylbenzene;N-hydroxy-3-(2-methylphenyl)cyclopent-2-ene-1-carboxamide

C20H22FNO2 — CID 144726785

IUPAC1-fluoro-2-methylbenzene;N-hydroxy-3-(2-methylphenyl)cyclopent-2-ene-1-carboxamide
SMILESCc1ccccc1C1=CC(C(=O)NO)CC1.Cc1ccccc1F
InChIInChI=1S/C13H15NO2.C7H7F/c1-9-4-2-3-5-12(9)10-6-7-11(8-10)13(15)14-16;1-6-4-2-3-5-7(6)8/h2-5,8,11,16H,6-7H2,1H3,(H,14,15);2-5H,1H3
InChIKeyGEWPYNUHBUKXSG-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.43
Rot. Bonds2

About 1-fluoro-2-methylbenzene;N-hydroxy-3-(2-methylphenyl)cyclopent-2-ene-1-carboxamide

1-fluoro-2-methylbenzene;N-hydroxy-3-(2-methylphenyl)cyclopent-2-ene-1-carboxamide (PubChem CID 144726785) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-fluoro-2-methylbenzene;N-hydroxy-3-(2-methylphenyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-2-methylbenzene;N-hydroxy-3-(2-methylphenyl)cyclopent-2-ene-1-carboxamide
PubChem CID144726785
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name1-fluoro-2-methylbenzene;N-hydroxy-3-(2-methylphenyl)cyclopent-2-ene-1-carboxamide
SMILESCc1ccccc1C1=CC(C(=O)NO)CC1.Cc1ccccc1F
InChIInChI=1S/C13H15NO2.C7H7F/c1-9-4-2-3-5-12(9)10-6-7-11(8-10)13(15)14-16;1-6-4-2-3-5-7(6)8/h2-5,8,11,16H,6-7H2,1H3,(H,14,15);2-5H,1H3
InChIKeyGEWPYNUHBUKXSG-UHFFFAOYSA-N
XLogP4.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylbenzene;N-hydroxy-3-(2-methylphenyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 1-fluoro-2-methylbenzene;N-hydroxy-3-(2-methylphenyl)cyclopent-2-ene-1-carboxamide (CID 144726785) is 1-fluoro-2-methylbenzene;N-hydroxy-3-(2-methylphenyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 1-fluoro-2-methylbenzene;N-hydroxy-3-(2-methylphenyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 1-fluoro-2-methylbenzene;N-hydroxy-3-(2-methylphenyl)cyclopent-2-ene-1-carboxamide is Cc1ccccc1C1=CC(C(=O)NO)CC1.Cc1ccccc1F.
What is the InChIKey of 1-fluoro-2-methylbenzene;N-hydroxy-3-(2-methylphenyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is GEWPYNUHBUKXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2.C7H7F/c1-9-4-2-3-5-12(9)10-6-7-11(8-10)13(15)14-16;1-6-4-2-3-5-7(6)8/h2-5,8,11,16H,6-7H2,1H3,(H,14,15);2-5H,1H3.
What are the key properties of 1-fluoro-2-methylbenzene;N-hydroxy-3-(2-methylphenyl)cyclopent-2-ene-1-carboxamide?
1-fluoro-2-methylbenzene;N-hydroxy-3-(2-methylphenyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylbenzene;N-hydroxy-3-(2-methylphenyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 144726785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).