4-(1-oxo-2,3-dihydroinden-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]benzamide

C22H22N4O2 — CID 121494369

IUPAC4-(1-oxo-2,3-dihydroinden-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCCCn1cnnc1CNC(=O)c1ccc(-c2ccc3c(c2)CCC3=O)cc1
InChIInChI=1S/C22H22N4O2/c1-2-11-26-14-24-25-21(26)13-23-22(28)16-5-3-15(4-6-16)17-7-9-19-18(12-17)8-10-20(19)27/h3-7,9,12,14H,2,8,10-11,13H2,1H3,(H,23,28)
InChIKeyXDNWDZYXWLLBOX-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.41
Rot. Bonds6

About 4-(1-oxo-2,3-dihydroinden-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]benzamide

4-(1-oxo-2,3-dihydroinden-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 121494369) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-(1-oxo-2,3-dihydroinden-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(1-oxo-2,3-dihydroinden-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID121494369
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-(1-oxo-2,3-dihydroinden-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCCCn1cnnc1CNC(=O)c1ccc(-c2ccc3c(c2)CCC3=O)cc1
InChIInChI=1S/C22H22N4O2/c1-2-11-26-14-24-25-21(26)13-23-22(28)16-5-3-15(4-6-16)17-7-9-19-18(12-17)8-10-20(19)27/h3-7,9,12,14H,2,8,10-11,13H2,1H3,(H,23,28)
InChIKeyXDNWDZYXWLLBOX-UHFFFAOYSA-N
XLogP3.41
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1-oxo-2,3-dihydroinden-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]benzamide with MolForge

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Related Compounds

5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 26408757
2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 131922833
4-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide;dihydrochloride
CID 119855022
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluorobenzamide
CID 103813824
(2S)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 95132421
(2R)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 95132420
N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 167883985
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide
CID 131910883
(3S)-3-(azepan-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 124842564
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 131928417
4-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 47158502
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 118793368

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxo-2,3-dihydroinden-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 4-(1-oxo-2,3-dihydroinden-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 121494369) is 4-(1-oxo-2,3-dihydroinden-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(1-oxo-2,3-dihydroinden-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-(1-oxo-2,3-dihydroinden-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]benzamide is CCCn1cnnc1CNC(=O)c1ccc(-c2ccc3c(c2)CCC3=O)cc1.
What is the InChIKey of 4-(1-oxo-2,3-dihydroinden-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is XDNWDZYXWLLBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-2-11-26-14-24-25-21(26)13-23-22(28)16-5-3-15(4-6-16)17-7-9-19-18(12-17)8-10-20(19)27/h3-7,9,12,14H,2,8,10-11,13H2,1H3,(H,23,28).
What are the key properties of 4-(1-oxo-2,3-dihydroinden-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]benzamide?
4-(1-oxo-2,3-dihydroinden-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxo-2,3-dihydroinden-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 121494369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).