3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide

C17H23FN2O2 — CID 166285297

IUPAC3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide
SMILESCC(C)(CNC(=O)c1cc(C(N)=O)ccc1F)C1CCCC1
InChIInChI=1S/C17H23FN2O2/c1-17(2,12-5-3-4-6-12)10-20-16(22)13-9-11(15(19)21)7-8-14(13)18/h7-9,12H,3-6,10H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyIEBKMWOLSOZOJB-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.87
Rot. Bonds5

About 3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide

3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide (PubChem CID 166285297) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide
PubChem CID166285297
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide
SMILESCC(C)(CNC(=O)c1cc(C(N)=O)ccc1F)C1CCCC1
InChIInChI=1S/C17H23FN2O2/c1-17(2,12-5-3-4-6-12)10-20-16(22)13-9-11(15(19)21)7-8-14(13)18/h7-9,12H,3-6,10H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyIEBKMWOLSOZOJB-UHFFFAOYSA-N
XLogP2.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-cyclopentyl-2-methylpropyl)benzamide
CID 115161070
N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 64929794
4-fluoro-3-N-[2-(1-hydroxycyclopentyl)ethyl]benzene-1,3-dicarboxamide
CID 166286961
3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
CID 166285453
3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
CID 166285299
N-(2-cyclopentylethyl)-2-fluoro-5-methylbenzamide
CID 62509050
2-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62512195
4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide
CID 69229769
3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
CID 166285602
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
N-(3-bromo-2,2-dimethylpropyl)-2-fluoro-5-methylbenzamide
CID 115364948
N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 81482573

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide (CID 166285297) is 3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide is CC(C)(CNC(=O)c1cc(C(N)=O)ccc1F)C1CCCC1.
What is the InChIKey of 3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide?
The InChIKey is IEBKMWOLSOZOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-17(2,12-5-3-4-6-12)10-20-16(22)13-9-11(15(19)21)7-8-14(13)18/h7-9,12H,3-6,10H2,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of 3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide?
3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide has a molecular weight of 306.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide is sourced from PubChem (CID 166285297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).