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

C22H23ClN4O2 — CID 143582173

IUPAC2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[1-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1C(C)NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O
InChIInChI=1S/C22H23ClN4O2/c1-14-5-3-4-6-19(14)15(2)24-20(28)13-26-22(29)27(18-11-12-18)21(25-26)16-7-9-17(23)10-8-16/h3-10,15,18H,11-13H2,1-2H3,(H,24,28)
InChIKeyVDSNCRCZKGADJO-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.89
Rot. Bonds6

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

2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[1-(2-methylphenyl)ethyl]acetamide (PubChem CID 143582173) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[1-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[1-(2-methylphenyl)ethyl]acetamide
PubChem CID143582173
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[1-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1C(C)NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O
InChIInChI=1S/C22H23ClN4O2/c1-14-5-3-4-6-19(14)15(2)24-20(28)13-26-22(29)27(18-11-12-18)21(25-26)16-7-9-17(23)10-8-16/h3-10,15,18H,11-13H2,1-2H3,(H,24,28)
InChIKeyVDSNCRCZKGADJO-UHFFFAOYSA-N
XLogP3.89
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 58012067
N-benzyl-2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 58011772
2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 58012103
ethyl 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]acetate
CID 58011757
2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 58011880
2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 58012179
2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[(2,5-dichlorophenyl)methyl]acetamide
CID 58011897
2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[2-oxo-2-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58012017
butyl-[2-[[2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]acetyl]amino]-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
CID 123684731
5-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-2-oxopentyl]-4-cyclopropyl-1,2,4-triazol-3-one
CID 147640075
2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]acetamide
CID 58012088
3-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 18192278

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[1-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[1-(2-methylphenyl)ethyl]acetamide (CID 143582173) is 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[1-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[1-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[1-(2-methylphenyl)ethyl]acetamide is Cc1ccccc1C(C)NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O.
What is the InChIKey of 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[1-(2-methylphenyl)ethyl]acetamide?
The InChIKey is VDSNCRCZKGADJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-14-5-3-4-6-19(14)15(2)24-20(28)13-26-22(29)27(18-11-12-18)21(25-26)16-7-9-17(23)10-8-16/h3-10,15,18H,11-13H2,1-2H3,(H,24,28).
What are the key properties of 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[1-(2-methylphenyl)ethyl]acetamide?
2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[1-(2-methylphenyl)ethyl]acetamide has a molecular weight of 410.91 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[1-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 143582173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).