2-[3-[1-(2-cyclopentylethyl)triazol-4-yl]anilino]benzamide

C22H25N5O — CID 77461130

IUPAC2-[3-[1-(2-cyclopentylethyl)triazol-4-yl]anilino]benzamide
SMILESNC(=O)c1ccccc1Nc1cccc(-c2cn(CCC3CCCC3)nn2)c1
InChIInChI=1S/C22H25N5O/c23-22(28)19-10-3-4-11-20(19)24-18-9-5-8-17(14-18)21-15-27(26-25-21)13-12-16-6-1-2-7-16/h3-5,8-11,14-16,24H,1-2,6-7,12-13H2,(H2,23,28)
InChIKeyJVKHKNXEQDIDAW-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.37
Rot. Bonds7

About 2-[3-[1-(2-cyclopentylethyl)triazol-4-yl]anilino]benzamide

2-[3-[1-(2-cyclopentylethyl)triazol-4-yl]anilino]benzamide (PubChem CID 77461130) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[3-[1-(2-cyclopentylethyl)triazol-4-yl]anilino]benzamide.

Molecular Properties

Compound Name2-[3-[1-(2-cyclopentylethyl)triazol-4-yl]anilino]benzamide
PubChem CID77461130
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-[3-[1-(2-cyclopentylethyl)triazol-4-yl]anilino]benzamide
SMILESNC(=O)c1ccccc1Nc1cccc(-c2cn(CCC3CCCC3)nn2)c1
InChIInChI=1S/C22H25N5O/c23-22(28)19-10-3-4-11-20(19)24-18-9-5-8-17(14-18)21-15-27(26-25-21)13-12-16-6-1-2-7-16/h3-5,8-11,14-16,24H,1-2,6-7,12-13H2,(H2,23,28)
InChIKeyJVKHKNXEQDIDAW-UHFFFAOYSA-N
XLogP4.37
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-cyclopentylethyl)triazol-4-yl]anilino]benzamide?
The IUPAC name of 2-[3-[1-(2-cyclopentylethyl)triazol-4-yl]anilino]benzamide (CID 77461130) is 2-[3-[1-(2-cyclopentylethyl)triazol-4-yl]anilino]benzamide.
What is the SMILES notation for 2-[3-[1-(2-cyclopentylethyl)triazol-4-yl]anilino]benzamide?
The canonical SMILES for 2-[3-[1-(2-cyclopentylethyl)triazol-4-yl]anilino]benzamide is NC(=O)c1ccccc1Nc1cccc(-c2cn(CCC3CCCC3)nn2)c1.
What is the InChIKey of 2-[3-[1-(2-cyclopentylethyl)triazol-4-yl]anilino]benzamide?
The InChIKey is JVKHKNXEQDIDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c23-22(28)19-10-3-4-11-20(19)24-18-9-5-8-17(14-18)21-15-27(26-25-21)13-12-16-6-1-2-7-16/h3-5,8-11,14-16,24H,1-2,6-7,12-13H2,(H2,23,28).
What are the key properties of 2-[3-[1-(2-cyclopentylethyl)triazol-4-yl]anilino]benzamide?
2-[3-[1-(2-cyclopentylethyl)triazol-4-yl]anilino]benzamide has a molecular weight of 375.48 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-cyclopentylethyl)triazol-4-yl]anilino]benzamide is sourced from PubChem (CID 77461130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).