1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide

C30H33F6N7O2 — CID 11949740

About 1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide

1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 11949740) has the molecular formula C30H33F6N7O2 and a molecular weight of 637.63 g/mol. Its IUPAC name is 1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

• Compound Name: 1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide
• PubChem CID: 11949740
• Molecular Formula: C30H33F6N7O2
• Molecular Weight: 637.63 g/mol
• Exact Mass: 637.26
• IUPAC Name: 1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide
• SMILES: CC(C)(C)C1CCC(N(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1
• InChI: InChI=1S/C30H33F6N7O2/c1-28(2,3)18-6-8-22(9-7-18)43(27(45)37-21-14-19(29(31,32)33)13-20(15-21)30(34,35)36)24-11-5-16-12-17(4-10-23(16)24)25(44)38-26-39-41-42-40-26/h4,10,12-15,18,22,24H,5-9,11H2,1-3H3,(H,37,45)(H2,38,39,40,41,42,44)
• InChIKey: CQCNJVFXKAWPPK-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 115.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.63
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide?

The IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide (CID 11949740) is 1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide.

What is the SMILES notation for 1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide?

The canonical SMILES for 1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide is CC(C)(C)C1CCC(N(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1.

What is the InChIKey of 1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide?

The InChIKey is CQCNJVFXKAWPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F6N7O2/c1-28(2,3)18-6-8-22(9-7-18)43(27(45)37-21-14-19(29(31,32)33)13-20(15-21)30(34,35)36)24-11-5-16-12-17(4-10-23(16)24)25(44)38-26-39-41-42-40-26/h4,10,12-15,18,22,24H,5-9,11H2,1-3H3,(H,37,45)(H2,38,39,40,41,42,44).

What are the key properties of 1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide?

1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 637.63 g/mol, XLogP of 7.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 11949740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).