2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2-naphthalen-2-ylethyl)acetamide

C25H23ClN4O2 — CID 58011803

IUPAC2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2-naphthalen-2-ylethyl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2Cl)n(C2CC2)c1=O)NCCc1ccc2ccccc2c1
InChIInChI=1S/C25H23ClN4O2/c26-22-8-4-3-7-21(22)24-28-29(25(32)30(24)20-11-12-20)16-23(31)27-14-13-17-9-10-18-5-1-2-6-19(18)15-17/h1-10,15,20H,11-14,16H2,(H,27,31)
InChIKeyATFAKXLFPDKMQO-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.21
Rot. Bonds7

About 2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2-naphthalen-2-ylethyl)acetamide

2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2-naphthalen-2-ylethyl)acetamide (PubChem CID 58011803) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2-naphthalen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2-naphthalen-2-ylethyl)acetamide
PubChem CID58011803
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2-naphthalen-2-ylethyl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2Cl)n(C2CC2)c1=O)NCCc1ccc2ccccc2c1
InChIInChI=1S/C25H23ClN4O2/c26-22-8-4-3-7-21(22)24-28-29(25(32)30(24)20-11-12-20)16-23(31)27-14-13-17-9-10-18-5-1-2-6-19(18)15-17/h1-10,15,20H,11-14,16H2,(H,27,31)
InChIKeyATFAKXLFPDKMQO-UHFFFAOYSA-N
XLogP4.21
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 58011770
ethyl 2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]acetate
CID 58012024
N-benzyl-2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 58011772
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 52900581
2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[(2,5-dichlorophenyl)methyl]acetamide
CID 58011897
N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide
CID 87319954
N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide
CID 121116890
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7634948
2-(4-chlorophenyl)-N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]acetamide
CID 121116241
2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-ethylacetamide
CID 90542236
N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 121078381
2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 121051486

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2-naphthalen-2-ylethyl)acetamide?
The IUPAC name of 2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2-naphthalen-2-ylethyl)acetamide (CID 58011803) is 2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2-naphthalen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2-naphthalen-2-ylethyl)acetamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2-naphthalen-2-ylethyl)acetamide is O=C(Cn1nc(-c2ccccc2Cl)n(C2CC2)c1=O)NCCc1ccc2ccccc2c1.
What is the InChIKey of 2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2-naphthalen-2-ylethyl)acetamide?
The InChIKey is ATFAKXLFPDKMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c26-22-8-4-3-7-21(22)24-28-29(25(32)30(24)20-11-12-20)16-23(31)27-14-13-17-9-10-18-5-1-2-6-19(18)15-17/h1-10,15,20H,11-14,16H2,(H,27,31).
What are the key properties of 2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2-naphthalen-2-ylethyl)acetamide?
2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2-naphthalen-2-ylethyl)acetamide has a molecular weight of 446.94 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2-naphthalen-2-ylethyl)acetamide is sourced from PubChem (CID 58011803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).