1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(piperidine-1-carbonyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

C24H22F4N6O2 — CID 138679694

About 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(piperidine-1-carbonyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(piperidine-1-carbonyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 138679694) has the molecular formula C24H22F4N6O2 and a molecular weight of 502.47 g/mol. Its IUPAC name is 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(piperidine-1-carbonyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(piperidine-1-carbonyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
• PubChem CID: 138679694
• Molecular Formula: C24H22F4N6O2
• Molecular Weight: 502.47 g/mol
• Exact Mass: 502.17
• IUPAC Name: 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(piperidine-1-carbonyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
• SMILES: O=C(c1ccc(NC(=O)C2(c3ccc(C(F)(F)F)cc3F)CC2)cc1-c1nn[nH]n1)N1CCCCC1
• InChI: InChI=1S/C24H22F4N6O2/c25-19-12-14(24(26,27)28)4-7-18(19)23(8-9-23)22(36)29-15-5-6-16(17(13-15)20-30-32-33-31-20)21(35)34-10-2-1-3-11-34/h4-7,12-13H,1-3,8-11H2,(H,29,36)(H,30,31,32,33)
• InChIKey: YTFBGAAZGDSOBE-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 103.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.47
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(piperidine-1-carbonyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(piperidine-1-carbonyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (CID 138679694) is 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(piperidine-1-carbonyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(piperidine-1-carbonyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(piperidine-1-carbonyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is O=C(c1ccc(NC(=O)C2(c3ccc(C(F)(F)F)cc3F)CC2)cc1-c1nn[nH]n1)N1CCCCC1.

What is the InChIKey of 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(piperidine-1-carbonyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?

The InChIKey is YTFBGAAZGDSOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N6O2/c25-19-12-14(24(26,27)28)4-7-18(19)23(8-9-23)22(36)29-15-5-6-16(17(13-15)20-30-32-33-31-20)21(35)34-10-2-1-3-11-34/h4-7,12-13H,1-3,8-11H2,(H,29,36)(H,30,31,32,33).

What are the key properties of 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(piperidine-1-carbonyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?

1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(piperidine-1-carbonyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 502.47 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(piperidine-1-carbonyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 138679694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).