N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide

C21H21FN4O2 — CID 121078381

IUPACN-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCn1nc(-c2ccccc2)n(C2CC2)c1=O
InChIInChI=1S/C21H21FN4O2/c22-17-8-6-15(7-9-17)14-19(27)23-12-13-25-21(28)26(18-10-11-18)20(24-25)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,23,27)
InChIKeyDXPYDMAJHBSQMY-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.54
Rot. Bonds7

About N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide

N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 121078381) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID121078381
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCn1nc(-c2ccccc2)n(C2CC2)c1=O
InChIInChI=1S/C21H21FN4O2/c22-17-8-6-15(7-9-17)14-19(27)23-12-13-25-21(28)26(18-10-11-18)20(24-25)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,23,27)
InChIKeyDXPYDMAJHBSQMY-UHFFFAOYSA-N
XLogP2.54
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,6-difluorobenzamide
CID 121078571
N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-methylpropanamide
CID 121078540
1-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(4-fluorophenyl)urea
CID 121078071
N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide
CID 121078383
1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea
CID 121078011
2-(4-chlorophenyl)-N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]acetamide
CID 121078873
2-(4-chlorophenyl)-N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]acetamide
CID 121116241
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 121116486
1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methoxyphenyl)urea
CID 121078009
2-(4-fluorophenyl)-N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]acetamide
CID 121078641
N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-3,3-dimethylbutanamide
CID 121078875
N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenylpropanamide
CID 90541736

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide (CID 121078381) is N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NCCn1nc(-c2ccccc2)n(C2CC2)c1=O.
What is the InChIKey of N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is DXPYDMAJHBSQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-17-8-6-15(7-9-17)14-19(27)23-12-13-25-21(28)26(18-10-11-18)20(24-25)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,23,27).
What are the key properties of N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 380.42 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 121078381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).