2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide

C18H15F4NO — CID 110445767

IUPAC2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
SMILESO=C(NC1(c2ccccc2F)CCCC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H15F4NO/c19-13-6-2-1-5-12(13)18(9-3-4-10-18)23-17(24)11-7-8-14(20)16(22)15(11)21/h1-2,5-8H,3-4,9-10H2,(H,23,24)
InChIKeyACKZGAWCJQXOHA-UHFFFAOYSA-N
MW337.32 g/mol
LogP4.44
Rot. Bonds3

About 2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide

2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide (PubChem CID 110445767) has the molecular formula C18H15F4NO and a molecular weight of 337.32 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
PubChem CID110445767
Molecular FormulaC18H15F4NO
Molecular Weight337.32 g/mol
Exact Mass337.11
IUPAC Name2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
SMILESO=C(NC1(c2ccccc2F)CCCC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H15F4NO/c19-13-6-2-1-5-12(13)18(9-3-4-10-18)23-17(24)11-7-8-14(20)16(22)15(11)21/h1-2,5-8H,3-4,9-10H2,(H,23,24)
InChIKeyACKZGAWCJQXOHA-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
CID 110444138
5-[[1-(2-fluorophenyl)cyclopentyl]amino]-5-oxopentanoic acid
CID 110442663
1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea
CID 110469941
N-[1-(2-fluorophenyl)cyclobutyl]pyrrolidine-1-carboxamide
CID 110469855
N-(1-carbamothioylcyclopentyl)-2,3,4-trifluorobenzamide
CID 79749223
N-[1-(2-fluorophenyl)cyclopropyl]-2,4-diazatricyclo[4.3.0.02,4]nona-1(9),5,7-triene-7-carboxamide
CID 123804948
3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide
CID 95807138
3-cyclopropyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide
CID 46963795
N-[1-(2-fluorophenyl)cyclopropyl]propanamide
CID 110477459
1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea
CID 110469859
N-[1-(2-fluorophenyl)cyclopropyl]cyclohexanecarboxamide
CID 110482201
N-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide
CID 110480254

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide (CID 110445767) is 2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide is O=C(NC1(c2ccccc2F)CCCC1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide?
The InChIKey is ACKZGAWCJQXOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4NO/c19-13-6-2-1-5-12(13)18(9-3-4-10-18)23-17(24)11-7-8-14(20)16(22)15(11)21/h1-2,5-8H,3-4,9-10H2,(H,23,24).
What are the key properties of 2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide?
2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide has a molecular weight of 337.32 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide is sourced from PubChem (CID 110445767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).