3-[(2-chloro-5-fluorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide

C28H28ClFN4O2 — CID 56941150

About 3-[(2-chloro-5-fluorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide

3-[(2-chloro-5-fluorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 56941150) has the molecular formula C28H28ClFN4O2 and a molecular weight of 507.01 g/mol. Its IUPAC name is 3-[(2-chloro-5-fluorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(2-chloro-5-fluorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
• PubChem CID: 56941150
• Molecular Formula: C28H28ClFN4O2
• Molecular Weight: 507.01 g/mol
• Exact Mass: 506.19
• IUPAC Name: 3-[(2-chloro-5-fluorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
• SMILES: CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cc(F)ccc1Cl)CC2)C1CCN(c2ccncc2)CC1
• InChI: InChI=1S/C28H28ClFN4O2/c1-33(21-10-14-34(15-11-21)22-8-12-31-13-9-22)28(36)19-3-2-18-4-7-26(23(18)16-19)32-27(35)24-17-20(30)5-6-25(24)29/h2-3,5-6,8-9,12-13,16-17,21,26H,4,7,10-11,14-15H2,1H3,(H,32,35)
• InChIKey: SLQAUNCCPNDFRJ-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.01
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-fluorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?

The IUPAC name of 3-[(2-chloro-5-fluorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide (CID 56941150) is 3-[(2-chloro-5-fluorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide.

What is the SMILES notation for 3-[(2-chloro-5-fluorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?

The canonical SMILES for 3-[(2-chloro-5-fluorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide is CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cc(F)ccc1Cl)CC2)C1CCN(c2ccncc2)CC1.

What is the InChIKey of 3-[(2-chloro-5-fluorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?

The InChIKey is SLQAUNCCPNDFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClFN4O2/c1-33(21-10-14-34(15-11-21)22-8-12-31-13-9-22)28(36)19-3-2-18-4-7-26(23(18)16-19)32-27(35)24-17-20(30)5-6-25(24)29/h2-3,5-6,8-9,12-13,16-17,21,26H,4,7,10-11,14-15H2,1H3,(H,32,35).

What are the key properties of 3-[(2-chloro-5-fluorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?

3-[(2-chloro-5-fluorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 507.01 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-chloro-5-fluorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 56941150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).