N-(1-phenylcyclopentyl)-N-[5-(trifluoromethyl)-2-pyridinyl]formamide

C18H17F3N2O — CID 57367352

IUPACN-(1-phenylcyclopentyl)-N-[5-(trifluoromethyl)-2-pyridinyl]formamide
SMILESO=CN(c1ccc(C(F)(F)F)cn1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)15-8-9-16(22-12-15)23(13-24)17(10-4-5-11-17)14-6-2-1-3-7-14/h1-3,6-9,12-13H,4-5,10-11H2
InChIKeyYAQXRVBZDZXCHE-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.53
Rot. Bonds4

About N-(1-phenylcyclopentyl)-N-[5-(trifluoromethyl)-2-pyridinyl]formamide

N-(1-phenylcyclopentyl)-N-[5-(trifluoromethyl)-2-pyridinyl]formamide (PubChem CID 57367352) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(1-phenylcyclopentyl)-N-[5-(trifluoromethyl)-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-(1-phenylcyclopentyl)-N-[5-(trifluoromethyl)-2-pyridinyl]formamide
PubChem CID57367352
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC NameN-(1-phenylcyclopentyl)-N-[5-(trifluoromethyl)-2-pyridinyl]formamide
SMILESO=CN(c1ccc(C(F)(F)F)cn1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)15-8-9-16(22-12-15)23(13-24)17(10-4-5-11-17)14-6-2-1-3-7-14/h1-3,6-9,12-13H,4-5,10-11H2
InChIKeyYAQXRVBZDZXCHE-UHFFFAOYSA-N
XLogP4.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylcyclopentyl)-N-[5-(trifluoromethyl)-2-pyridinyl]formamide?
The IUPAC name of N-(1-phenylcyclopentyl)-N-[5-(trifluoromethyl)-2-pyridinyl]formamide (CID 57367352) is N-(1-phenylcyclopentyl)-N-[5-(trifluoromethyl)-2-pyridinyl]formamide.
What is the SMILES notation for N-(1-phenylcyclopentyl)-N-[5-(trifluoromethyl)-2-pyridinyl]formamide?
The canonical SMILES for N-(1-phenylcyclopentyl)-N-[5-(trifluoromethyl)-2-pyridinyl]formamide is O=CN(c1ccc(C(F)(F)F)cn1)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-(1-phenylcyclopentyl)-N-[5-(trifluoromethyl)-2-pyridinyl]formamide?
The InChIKey is YAQXRVBZDZXCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c19-18(20,21)15-8-9-16(22-12-15)23(13-24)17(10-4-5-11-17)14-6-2-1-3-7-14/h1-3,6-9,12-13H,4-5,10-11H2.
What are the key properties of N-(1-phenylcyclopentyl)-N-[5-(trifluoromethyl)-2-pyridinyl]formamide?
N-(1-phenylcyclopentyl)-N-[5-(trifluoromethyl)-2-pyridinyl]formamide has a molecular weight of 334.34 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylcyclopentyl)-N-[5-(trifluoromethyl)-2-pyridinyl]formamide is sourced from PubChem (CID 57367352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).