2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide

C22H21ClN4O2 — CID 58012103

IUPAC2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O)NC1CCc2ccccc21
InChIInChI=1S/C22H21ClN4O2/c23-16-8-5-15(6-9-16)21-25-26(22(29)27(21)17-10-11-17)13-20(28)24-19-12-7-14-3-1-2-4-18(14)19/h1-6,8-9,17,19H,7,10-13H2,(H,24,28)
InChIKeyZNTRHLVLCNUHCC-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.50
Rot. Bonds5

About 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide

2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 58012103) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID58012103
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O)NC1CCc2ccccc21
InChIInChI=1S/C22H21ClN4O2/c23-16-8-5-15(6-9-16)21-25-26(22(29)27(21)17-10-11-17)13-20(28)24-19-12-7-14-3-1-2-4-18(14)19/h1-6,8-9,17,19H,7,10-13H2,(H,24,28)
InChIKeyZNTRHLVLCNUHCC-UHFFFAOYSA-N
XLogP3.50
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]acetate
CID 58011757
2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 95183085
N-(2,3-dihydro-1H-inden-1-yl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 50927003
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 51273562
2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]acetamide
CID 58012088
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51273612
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 94491684
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide
CID 92900192
N-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18131558
2-[6-[(4-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92668962
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 95181257
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2402039

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of 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) is 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide is O=C(Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O)NC1CCc2ccccc21.
What is the InChIKey of 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is ZNTRHLVLCNUHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c23-16-8-5-15(6-9-16)21-25-26(22(29)27(21)17-10-11-17)13-20(28)24-19-12-7-14-3-1-2-4-18(14)19/h1-6,8-9,17,19H,7,10-13H2,(H,24,28).
What are the key properties of 2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 408.89 g/mol, XLogP of 3.50, 5 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-(2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 58012103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).