1-fluoro-2-methylbenzene;N-hydroxycyclopentanecarboxamide;pyrrolidine

C17H27FN2O2 — CID 144726906

IUPAC1-fluoro-2-methylbenzene;N-hydroxycyclopentanecarboxamide;pyrrolidine
SMILESC1CCNC1.Cc1ccccc1F.O=C(NO)C1CCCC1
InChIInChI=1S/C7H7F.C6H11NO2.C4H9N/c1-6-4-2-3-5-7(6)8;8-6(7-9)5-3-1-2-4-5;1-2-4-5-3-1/h2-5H,1H3;5,9H,1-4H2,(H,7,8);5H,1-4H2
InChIKeyKNHMEYSPPVOGHI-UHFFFAOYSA-N
MW310.41 g/mol
LogP3.19
Rot. Bonds1

About 1-fluoro-2-methylbenzene;N-hydroxycyclopentanecarboxamide;pyrrolidine

1-fluoro-2-methylbenzene;N-hydroxycyclopentanecarboxamide;pyrrolidine (PubChem CID 144726906) has the molecular formula C17H27FN2O2 and a molecular weight of 310.41 g/mol. Its IUPAC name is 1-fluoro-2-methylbenzene;N-hydroxycyclopentanecarboxamide;pyrrolidine.

Molecular Properties

Compound Name1-fluoro-2-methylbenzene;N-hydroxycyclopentanecarboxamide;pyrrolidine
PubChem CID144726906
Molecular FormulaC17H27FN2O2
Molecular Weight310.41 g/mol
Exact Mass310.21
IUPAC Name1-fluoro-2-methylbenzene;N-hydroxycyclopentanecarboxamide;pyrrolidine
SMILESC1CCNC1.Cc1ccccc1F.O=C(NO)C1CCCC1
InChIInChI=1S/C7H7F.C6H11NO2.C4H9N/c1-6-4-2-3-5-7(6)8;8-6(7-9)5-3-1-2-4-5;1-2-4-5-3-1/h2-5H,1H3;5,9H,1-4H2,(H,7,8);5H,1-4H2
InChIKeyKNHMEYSPPVOGHI-UHFFFAOYSA-N
XLogP3.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 53.19
H-Bond Donors ≤ 53
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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Related Compounds

1-fluoro-2-methylbenzene;N-hydroxy-3-(2-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 144726785
N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119281807
N-hydroxycyclohexanecarboxamide;hydrochloride
CID 174569477
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid
CID 82090476
N'-(2-methylbenzoyl)piperidine-4-carbohydrazide
CID 82121687
N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
CID 108538982
4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150408
cyclopentyl-(2,6-dimethylphenyl)methanone
CID 24724167
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
acetylene;ethane;1-fluoro-2-methylbenzene
CID 145259299
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylbenzene;N-hydroxycyclopentanecarboxamide;pyrrolidine?
The IUPAC name of 1-fluoro-2-methylbenzene;N-hydroxycyclopentanecarboxamide;pyrrolidine (CID 144726906) is 1-fluoro-2-methylbenzene;N-hydroxycyclopentanecarboxamide;pyrrolidine.
What is the SMILES notation for 1-fluoro-2-methylbenzene;N-hydroxycyclopentanecarboxamide;pyrrolidine?
The canonical SMILES for 1-fluoro-2-methylbenzene;N-hydroxycyclopentanecarboxamide;pyrrolidine is C1CCNC1.Cc1ccccc1F.O=C(NO)C1CCCC1.
What is the InChIKey of 1-fluoro-2-methylbenzene;N-hydroxycyclopentanecarboxamide;pyrrolidine?
The InChIKey is KNHMEYSPPVOGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F.C6H11NO2.C4H9N/c1-6-4-2-3-5-7(6)8;8-6(7-9)5-3-1-2-4-5;1-2-4-5-3-1/h2-5H,1H3;5,9H,1-4H2,(H,7,8);5H,1-4H2.
What are the key properties of 1-fluoro-2-methylbenzene;N-hydroxycyclopentanecarboxamide;pyrrolidine?
1-fluoro-2-methylbenzene;N-hydroxycyclopentanecarboxamide;pyrrolidine has a molecular weight of 310.41 g/mol, XLogP of 3.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylbenzene;N-hydroxycyclopentanecarboxamide;pyrrolidine is sourced from PubChem (CID 144726906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).