N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-phenyltriazole-4-carboxamide

C22H23FN4O — CID 78860126

IUPACN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-phenyltriazole-4-carboxamide
SMILESO=C(c1cn(-c2ccccc2)nn1)N(CCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C22H23FN4O/c23-18-12-10-17(11-13-18)14-15-26(19-6-4-5-7-19)22(28)21-16-27(25-24-21)20-8-2-1-3-9-20/h1-3,8-13,16,19H,4-7,14-15H2
InChIKeyWCPBESWYMQPLTG-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.03
Rot. Bonds6

About N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-phenyltriazole-4-carboxamide

N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-phenyltriazole-4-carboxamide (PubChem CID 78860126) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-phenyltriazole-4-carboxamide
PubChem CID78860126
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-phenyltriazole-4-carboxamide
SMILESO=C(c1cn(-c2ccccc2)nn1)N(CCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C22H23FN4O/c23-18-12-10-17(11-13-18)14-15-26(19-6-4-5-7-19)22(28)21-16-27(25-24-21)20-8-2-1-3-9-20/h1-3,8-13,16,19H,4-7,14-15H2
InChIKeyWCPBESWYMQPLTG-UHFFFAOYSA-N
XLogP4.03
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide
CID 102684340
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-phenyltriazole-4-carboxamide
CID 39095509
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 78853803
N-cyclopentyl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 86927162
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-phenyltriazole-4-carboxamide
CID 78859501
2-N-cyclohexyl-2-N-(2-phenylethyl)pyrazine-2,5-dicarboxamide
CID 137338224
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78853634
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 78853832
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide
CID 78853764
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 78853833
N-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 78853830
5-bromo-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]furan-3-carboxamide
CID 78853656

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-phenyltriazole-4-carboxamide (CID 78860126) is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-phenyltriazole-4-carboxamide is O=C(c1cn(-c2ccccc2)nn1)N(CCc1ccc(F)cc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-phenyltriazole-4-carboxamide?
The InChIKey is WCPBESWYMQPLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-18-12-10-17(11-13-18)14-15-26(19-6-4-5-7-19)22(28)21-16-27(25-24-21)20-8-2-1-3-9-20/h1-3,8-13,16,19H,4-7,14-15H2.
What are the key properties of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-phenyltriazole-4-carboxamide?
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-phenyltriazole-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 78860126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).