2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide

C13H13F4NO — CID 114549525

IUPAC2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide
SMILESCC1CCC(NC(=O)c2cc(F)c(F)c(F)c2F)C1
InChIInChI=1S/C13H13F4NO/c1-6-2-3-7(4-6)18-13(19)8-5-9(14)11(16)12(17)10(8)15/h5-7H,2-4H2,1H3,(H,18,19)
InChIKeyZWCGTMOYMKNGCP-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.16
Rot. Bonds2

About 2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide

2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide (PubChem CID 114549525) has the molecular formula C13H13F4NO and a molecular weight of 275.25 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide
PubChem CID114549525
Molecular FormulaC13H13F4NO
Molecular Weight275.25 g/mol
Exact Mass275.09
IUPAC Name2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide
SMILESCC1CCC(NC(=O)c2cc(F)c(F)c(F)c2F)C1
InChIInChI=1S/C13H13F4NO/c1-6-2-3-7(4-6)18-13(19)8-5-9(14)11(16)12(17)10(8)15/h5-7H,2-4H2,1H3,(H,18,19)
InChIKeyZWCGTMOYMKNGCP-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide
CID 114550116
2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide
CID 114545572
2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79749208
2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide
CID 107723891
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 71890363
5-bromo-2-methyl-N-(3-methylcyclopentyl)benzamide
CID 114546768
2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 41097249
2-fluoro-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41097250
4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide
CID 114549931
4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide
CID 114541023
3,5-diamino-N-(3-methylcyclopentyl)benzamide
CID 114542578
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide (CID 114549525) is 2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide is CC1CCC(NC(=O)c2cc(F)c(F)c(F)c2F)C1.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide?
The InChIKey is ZWCGTMOYMKNGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4NO/c1-6-2-3-7(4-6)18-13(19)8-5-9(14)11(16)12(17)10(8)15/h5-7H,2-4H2,1H3,(H,18,19).
What are the key properties of 2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide?
2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide has a molecular weight of 275.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide is sourced from PubChem (CID 114549525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).