1-fluoro-2-methylbenzene;N-hydroxy-3-(6-methyl-3-pyridinyl)cyclopent-2-ene-1-carboxamide

C19H21FN2O2 — CID 144726789

IUPAC1-fluoro-2-methylbenzene;N-hydroxy-3-(6-methyl-3-pyridinyl)cyclopent-2-ene-1-carboxamide
SMILESCc1ccc(C2=CC(C(=O)NO)CC2)cn1.Cc1ccccc1F
InChIInChI=1S/C12H14N2O2.C7H7F/c1-8-2-3-11(7-13-8)9-4-5-10(6-9)12(15)14-16;1-6-4-2-3-5-7(6)8/h2-3,6-7,10,16H,4-5H2,1H3,(H,14,15);2-5H,1H3
InChIKeyFGDWLJFXZXRNLW-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.82
Rot. Bonds2

About 1-fluoro-2-methylbenzene;N-hydroxy-3-(6-methyl-3-pyridinyl)cyclopent-2-ene-1-carboxamide

1-fluoro-2-methylbenzene;N-hydroxy-3-(6-methyl-3-pyridinyl)cyclopent-2-ene-1-carboxamide (PubChem CID 144726789) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-fluoro-2-methylbenzene;N-hydroxy-3-(6-methyl-3-pyridinyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-2-methylbenzene;N-hydroxy-3-(6-methyl-3-pyridinyl)cyclopent-2-ene-1-carboxamide
PubChem CID144726789
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name1-fluoro-2-methylbenzene;N-hydroxy-3-(6-methyl-3-pyridinyl)cyclopent-2-ene-1-carboxamide
SMILESCc1ccc(C2=CC(C(=O)NO)CC2)cn1.Cc1ccccc1F
InChIInChI=1S/C12H14N2O2.C7H7F/c1-8-2-3-11(7-13-8)9-4-5-10(6-9)12(15)14-16;1-6-4-2-3-5-7(6)8/h2-3,6-7,10,16H,4-5H2,1H3,(H,14,15);2-5H,1H3
InChIKeyFGDWLJFXZXRNLW-UHFFFAOYSA-N
XLogP3.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.82
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylbenzene;N-hydroxy-3-(6-methyl-3-pyridinyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 1-fluoro-2-methylbenzene;N-hydroxy-3-(6-methyl-3-pyridinyl)cyclopent-2-ene-1-carboxamide (CID 144726789) is 1-fluoro-2-methylbenzene;N-hydroxy-3-(6-methyl-3-pyridinyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 1-fluoro-2-methylbenzene;N-hydroxy-3-(6-methyl-3-pyridinyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 1-fluoro-2-methylbenzene;N-hydroxy-3-(6-methyl-3-pyridinyl)cyclopent-2-ene-1-carboxamide is Cc1ccc(C2=CC(C(=O)NO)CC2)cn1.Cc1ccccc1F.
What is the InChIKey of 1-fluoro-2-methylbenzene;N-hydroxy-3-(6-methyl-3-pyridinyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is FGDWLJFXZXRNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.C7H7F/c1-8-2-3-11(7-13-8)9-4-5-10(6-9)12(15)14-16;1-6-4-2-3-5-7(6)8/h2-3,6-7,10,16H,4-5H2,1H3,(H,14,15);2-5H,1H3.
What are the key properties of 1-fluoro-2-methylbenzene;N-hydroxy-3-(6-methyl-3-pyridinyl)cyclopent-2-ene-1-carboxamide?
1-fluoro-2-methylbenzene;N-hydroxy-3-(6-methyl-3-pyridinyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylbenzene;N-hydroxy-3-(6-methyl-3-pyridinyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 144726789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).