N-cyclopentyl-3-ethynyl-5-(trifluoromethyl)benzamide

C15H14F3NO — CID 162340861

IUPACN-cyclopentyl-3-ethynyl-5-(trifluoromethyl)benzamide
SMILESC#Cc1cc(C(=O)NC2CCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO/c1-2-10-7-11(9-12(8-10)15(16,17)18)14(20)19-13-5-3-4-6-13/h1,7-9,13H,3-6H2,(H,19,20)
InChIKeyYADLGTFVGCDGEL-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.36
Rot. Bonds2

About N-cyclopentyl-3-ethynyl-5-(trifluoromethyl)benzamide

N-cyclopentyl-3-ethynyl-5-(trifluoromethyl)benzamide (PubChem CID 162340861) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is N-cyclopentyl-3-ethynyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-ethynyl-5-(trifluoromethyl)benzamide
PubChem CID162340861
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC NameN-cyclopentyl-3-ethynyl-5-(trifluoromethyl)benzamide
SMILESC#Cc1cc(C(=O)NC2CCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO/c1-2-10-7-11(9-12(8-10)15(16,17)18)14(20)19-13-5-3-4-6-13/h1,7-9,13H,3-6H2,(H,19,20)
InChIKeyYADLGTFVGCDGEL-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide
CID 46548552
N-[2-(cyclobutylamino)-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 91363286
3-ethynyl-N,N-dimethyl-5-(trifluoromethyl)benzamide
CID 162340862
N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide
CID 30772760
3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride
CID 119388602
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 3950212
N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
CID 143518769
N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 57445697
N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide
CID 154183333
3,5-diamino-N-cyclooctylbenzamide
CID 61092511
4-bromo-N-cyclohexyl-3,5-difluorobenzamide
CID 172646662
N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide
CID 18648125

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-ethynyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-cyclopentyl-3-ethynyl-5-(trifluoromethyl)benzamide (CID 162340861) is N-cyclopentyl-3-ethynyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cyclopentyl-3-ethynyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-cyclopentyl-3-ethynyl-5-(trifluoromethyl)benzamide is C#Cc1cc(C(=O)NC2CCCC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-cyclopentyl-3-ethynyl-5-(trifluoromethyl)benzamide?
The InChIKey is YADLGTFVGCDGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-2-10-7-11(9-12(8-10)15(16,17)18)14(20)19-13-5-3-4-6-13/h1,7-9,13H,3-6H2,(H,19,20).
What are the key properties of N-cyclopentyl-3-ethynyl-5-(trifluoromethyl)benzamide?
N-cyclopentyl-3-ethynyl-5-(trifluoromethyl)benzamide has a molecular weight of 281.28 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-ethynyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 162340861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).